large interlayer spacing: Topics by Science.gov

Sample records for large interlayer spacing

Rational control of the interlayer space inside two-dimensional titanium carbides for highly efficient uranium removal and imprisonment.

PubMed

Wang, Lin; Tao, Wuqing; Yuan, Liyong; Liu, Zhirong; Huang, Qing; Chai, Zhifang; Gibson, John K; Shi, Weiqun

2017-11-07

Though two-dimensional early transition metal carbides and carbonitrides (MXenes) have attracted extensive interest recently, their superb abilities in various scientific applications always suffer from the very narrow interlayer space inside the multilayered structure. Here we demonstrate an unprecedented large adsorption capacity enhancement of Ti 3 C 2 T x toward radionuclide removal via a hydrated intercalation strategy. By rational control of the interlayer space, the potential for imprisoning the representative actinide U(vi) inside multilayered Ti 3 C 2 T x was also confirmed.
The graphene oxide membrane immersing in the aqueous solution studied by electrochemical impedance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Yongjing; Chen, Zhe; Yao, Lei; Wang, Xiao; Fu, Ping; Lin, Zhidong

2018-04-01

The interlayer spacing of graphene oxide (GO) is a key property for GO membrane. To probe the variation of interlayer spacing of the GO membrane immersing in KCl aqueous solution, electrochemical impedance spectroscopy (EIS), x-ray diffraction (XRD) and computational calculation was utilized in this study. The XRD patterns show that soaking in KCl aqueous solution leads to an increase of interlayer spacing of GO membrane. And the EIS results indicate that during the immersing process, the charge transfer resistance of GO membrane decreases first and then increases. Computational calculation confirms that intercalated water molecules can result in an increase of interlayer spacing of GO membrane, while the permeation of K+ ions would lead to a decrease of interlayer spacing. All the results are in agreement with each other. It suggests that during the immersing process, the interlayer spacing of GO enlarges first and then decreases. EIS can be a promisingly online method for examining the interlayer spacing of GO in the aqueous solution.
Engineering Low Dimensional Materials with van der Waals Interaction

NASA Astrophysics Data System (ADS)

Jin, Chenhao

Two-dimensional van der Waals materials grow into a hot and big field in condensed matter physics in the past decade. One particularly intriguing thing is the possibility to stack different layers together as one wish, like playing a Lego game, which can create artificial structures that do not exist in nature. These new structures can enable rich new physics from interlayer interaction: The interaction is strong, because in low-dimension materials electrons are exposed to the interface and are susceptible to other layers; and the screening of interaction is less prominent. The consequence is rich, not only from the extensive list of two-dimensional materials available nowadays, but also from the freedom of interlayer configuration, such as displacement and twist angle, which creates a gigantic parameter space to play with. On the other hand, however, the huge parameter space sometimes can make it challenging to describe consistently with a single picture. For example, the large periodicity or even incommensurability in van der Waals systems creates difficulty in using periodic boundary condition. Worse still, the huge superlattice unit cell and overwhelming computational efforts involved to some extent prevent the establishment of a simple physical picture to understand the evolution of system properties in the parameter space of interlayer configuration. In the first part of the dissertation, I will focus on classification of the huge parameter space into subspaces, and introduce suitable theoretical approaches for each subspace. For each approach, I will discuss its validity, limitation, general solution, as well as a specific example of application demonstrating how one can obtain the most important effects of interlayer interaction with little computation efforts. Combining all the approaches introduced will provide an analytic solution to cover majority of the parameter space, which will be very helpful in understanding the intuitive physical picture behind the consequence of interlayer interaction, as well as its systematic evolution in the parameter space. Experimentally, optical spectroscopy is a powerful tool to investigate properties of materials, owing to its insusceptibility to extrinsic effects like defects, capability of obtaining information in large spectral range, and the sensitivity to not only density of states but also wavefunction through transition matrix element. Following the classification of interlayer interaction, I will present optical spectroscopy studies of three van der Waals systems: Two-dimensional few layer phosphorene, one-dimensional double-walled nanotubes, and two-dimensional graphene/hexagonal Boron Nitride heterostructure. Experimental results exhibit rich and distinctively different effects of interlayer interaction in these systems, as a demonstration of the colorful physics from the large parameter space. On the other hand, all these cases can be well-described by the methods developed in the theory part, which explains experimental results quantitatively through only a few parameters each with clear physical meaning. Therefore, the formalism given here, both from theoretical and experimental aspects, offers a generally useful methodology to study, understand and design van der Waals materials for both fascinating physics and novel applications.
Edge-terminated molybdenum disulfide with a 9.4-Å interlayer spacing for electrochemical hydrogen production

DOE PAGES

Gao, Min -Rui; Chan, Maria K. Y.; Sun, Yugang

2015-07-03

In this study, layered molybdenum disulfide has demonstrated great promise as a low-cost alternative to platinum-based catalysts for electrochemical hydrogen production from water. Research effort on this material has focused mainly on synthesizing highly nanostructured molybdenum disulfide that allows the exposure of a large fraction of active edge sites. Here we report a promising microwave-assisted strategy for the synthesis of narrow molybdenum disulfide nanosheets with edge-terminated structure and a significantly expanded interlayer spacing, which exhibit striking kinetic metrics with onset potential of -103 mV, Tafel slope of 49 mV per decade and exchange current density of 9.62 × 10 -3more » mA cm -2, performing among the best of current molybdenum disulfide catalysts. Besides benefits from the edge-terminated structure, the expanded interlayer distance with modified electronic structure is also responsible for the observed catalytic improvement, which suggests a potential way to design newly advanced molybdenum disulfide catalysts through modulating the interlayer distance.« less
Edge-terminated molybdenum disulfide with a 9.4-Å interlayer spacing for electrochemical hydrogen production

PubMed Central

Gao, Min-Rui; Chan, Maria K.Y.; Sun, Yugang

2015-01-01

Layered molybdenum disulfide has demonstrated great promise as a low-cost alternative to platinum-based catalysts for electrochemical hydrogen production from water. Research effort on this material has focused mainly on synthesizing highly nanostructured molybdenum disulfide that allows the exposure of a large fraction of active edge sites. Here we report a promising microwave-assisted strategy for the synthesis of narrow molybdenum disulfide nanosheets with edge-terminated structure and a significantly expanded interlayer spacing, which exhibit striking kinetic metrics with onset potential of −103 mV, Tafel slope of 49 mV per decade and exchange current density of 9.62 × 10−3 mA cm−2, performing among the best of current molybdenum disulfide catalysts. Besides benefits from the edge-terminated structure, the expanded interlayer distance with modified electronic structure is also responsible for the observed catalytic improvement, which suggests a potential way to design newly advanced molybdenum disulfide catalysts through modulating the interlayer distance. PMID:26138031
Enabling Colloidal Synthesis of Edge-Oriented MoS2 with Expanded Interlayer Spacing for Enhanced HER Catalysis.

PubMed

Sun, Yugang; Alimohammadi, Farbod; Zhang, Dongtang; Guo, Guangsheng

2017-03-08

By selectively promoting heterogeneous nucleation/growth of MoS 2 on graphene monolayer sheets, edge-oriented (EO) MoS 2 nanosheets with expanded interlayer spacing (∼9.4 Å) supported on reduced graphene oxide (rGO) sheets were successfully synthesized through colloidal chemistry, showing the promise in low-cost and large-scale production. The number and edge length of MoS 2 nanosheets per area of graphene sheets were tuned by controlling the reaction time in the microwave-assisted solvothermal reduction of ammonium tetrathiomolybdate [(NH 4 ) 2 MoS 4 ] in dimethylformamide. The edge-oriented and interlayer-expanded (EO&IE) MoS 2 /rGO exhibited significantly improved catalytic activity toward hydrogen evolution reaction (HER) in terms of larger current density, lower Tafel slope, and lower charge transfer resistance compared to the corresponding interlayer-expanded MoS 2 sheets without edge-oriented geometry, highlighting the importance of synergistic effect between edge-oriented geometry and interlayer expansion on determining HER activity of MoS 2 nanosheets. Quantitative analysis clearly shows the linear dependence of current density on the edge length of MoS 2 nanosheets.
Development of a new multi-layer insulation blanket with non-interlayer-contact spacer for space cryogenic mission

NASA Astrophysics Data System (ADS)

Miyakita, Takeshi; Hatakenaka, Ryuta; Sugita, Hiroyuki; Saitoh, Masanori; Hirai, Tomoyuki

2014-11-01

For conventional Multi-Layer Insulation (MLI) blankets, it is difficult to control the layer density and the thermal insulation performance degrades due to the increase in conductive heat leak through interlayer contacts. At low temperatures, the proportion of conductive heat transfer through MLI blankets is large compared to that of radiative heat transfer, hence the decline in thermal insulation performance is significant. A new type of MLI blanket using new spacers; the Non-Interlayer-Contact Spacer MLI (NICS MLI) has been developed. This new MLI blanket uses small discrete spacers and can exclude uncertain interlayer contact between films. It is made of polyetheretherketone (PEEK) making it suitable for space use. The cross-sectional area to length ratio of the spacer is 1.0 × 10-5 m with a 10 mm diameter and 4 mm height. The insulation performance is measured with a boil-off calorimeter. Because the NICS MLI blanket can exclude uncertain interlayer contact, the test results showed good agreement with estimations. Furthermore, the NICS MLI blanket shows significantly good insulation performance (effective emissivity is 0.0046 at ordinary temperature), particularly at low temperatures, due to the high thermal resistance of this spacer.
Interlayer orientation-dependent light absorption and emission in monolayer semiconductor stacks

PubMed Central

Heo, Hoseok; Sung, Ji Ho; Cha, Soonyoung; Jang, Bo-Gyu; Kim, Joo-Youn; Jin, Gangtae; Lee, Donghun; Ahn, Ji-Hoon; Lee, Myoung-Jae; Shim, Ji Hoon; Choi, Hyunyong; Jo, Moon-Ho

2015-01-01

Two-dimensional stacks of dissimilar hexagonal monolayers exhibit unusual electronic, photonic and photovoltaic responses that arise from substantial interlayer excitations. Interband excitation phenomena in individual hexagonal monolayer occur in states at band edges (valleys) in the hexagonal momentum space; therefore, low-energy interlayer excitation in the hexagonal monolayer stacks can be directed by the two-dimensional rotational degree of each monolayer crystal. However, this rotation-dependent excitation is largely unknown, due to lack in control over the relative monolayer rotations, thereby leading to momentum-mismatched interlayer excitations. Here, we report that light absorption and emission in MoS2/WS2 monolayer stacks can be tunable from indirect- to direct-gap transitions in both spectral and dynamic characteristics, when the constituent monolayer crystals are coherently stacked without in-plane rotation misfit. Our study suggests that the interlayer rotational attributes determine tunable interlayer excitation as a new set of basis for investigating optical phenomena in a two-dimensional hexagonal monolayer system. PMID:26099952
DOE Office of Scientific and Technical Information (OSTI.GOV)

Bowers, Geoffrey M.; Schaef, H. Todd; Loring, John S.

This paper explores the molecular-scale interactions between CO 2 and the representative smectite mineral hectorite under supercritical conditions (90 bar, 50°C) using novel in situ X-ray diffraction (XRD), infrared (IR) spectroscopy, and magic angle spinning (MAS) nuclear magnetic resonance (NMR) techniques. Particular emphasis is placed on understanding the roles of the smectite charge balancing cation (CBC) and H O in these interactions. The data show that supercritical CO 2 (scCO 2) can be adsorbed on external surfaces and in the confined interlayer spaces of hectorite at 50°C and 90 bar, with the uptake of CO 2 into the interlayer favoredmore » at low H 2O content and when the basal spacing is similar to a monolayer hydrate of hectorite (1WL, ~12.5 Å). These results are in agreement with published spectroscopic and molecular modeling data for the related smectite Na-montmorillonite.Charge balancing cations with small radii, large hydration energies, and low polarizabilities tend to scavenge H 2O from humid scCO 2 or retain the H 2O they held before scCO 2 exposure, swelling spontaneously to a bilayer hydrate (2WL) dominated state that largely prevents CO 2-ion interactions and influences the extent of CO 2 intercalation into the interlayer. In contrast, ions with large radii, low hydration energies, and large polarizabilities more readily form close associations with CO 2 with the energetics enabling coexistence of CO 2 and H2O in the interlayer over a wide range of scCO 2 humidities. Integrating our results with those from molecular dynamics simulations of wet CO 2-bearing montmorillonites suggest that adsorbed CO 2 in 1WL-type interlayers is oriented with its long axis parallel to the clay sheets and experiences dynamics dominated by anisotropic rotation about the axis perpendicular to the CO 2 long axis at rates of at least ~105 Hz. If appreciable CO 2 is adsorbed in 2WL-type interlayers, it must experience a mean orientation and dynamic averaging affects that mimic the 1WL-type adsorption environment. External surface adsorbed CO 2 is dynamically similar to the 1WL case, but the CO 2 long axis samples a larger range of orientations with respect to the smectite surface and adopts a different mean angle between the long axis and the smectite surface. Our data also suggest that equilibrating hectorite with a largevolume of scCO 2 at 50°C and 90 bar leads to interlayer dehydration, with the extent of dehydration correlating with the hydrophilicity of the CBC.« less
Phases of a stack of membranes in a large number of dimensions of configuration space

NASA Astrophysics Data System (ADS)

Borelli, M. E.; Kleinert, H.

2001-05-01

The phase diagram of a stack of tensionless membranes with nonlinear curvature energy and vertical harmonic interaction is calculated exactly in a large number of dimensions of configuration space. At low temperatures, the system forms a lamellar phase with spontaneously broken translational symmetry in the vertical direction. At a critical temperature, the stack disorders vertically in a meltinglike transition. The critical temperature is determined as a function of the interlayer separation l.
Variable Temperature Infrared Spectroscopy Investigation of Benzoic Acid Interactions with Montmorillonite Clay Interlayer Water.

PubMed

Nickels, Tara M; Ingram, Audrey L; Maraoulaite, Dalia K; White, Robert L

2015-07-01

Molecular interactions between benzoic acid and cations and water contained in montmorillonite clay interlayer spaces are characterized by using variable temperature diffuse reflection infrared Fourier transform spectroscopy (VT-DRIFTS). Using sample perturbation and difference spectroscopy, infrared spectral changes resulting from removal of interlayer water and associated changes in local benzoic acid environments are identified. Difference spectra features can be correlated with changes in specific molecular vibrations that are characteristic of benzoic acid molecular orientation. Results suggest that the carboxylic acid functionality of benzoic acid interacts with interlayer cations through a bridging water molecule and that this interaction is affected by the nature of the cation present in the clay interlayer space.
Band engineering in twisted molybdenum disulfide bilayers

NASA Astrophysics Data System (ADS)

Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang

2018-05-01

In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.
Insight into hydrogen bonds and characterization of interlayer spacing of hydrated graphene oxide.

PubMed

Liu, Liyan; Zhang, Ruifeng; Liu, Ying; Tan, Wei; Zhu, Guorui

2018-05-28

The number of hydrogen bonds and detailed information on the interlayer spacing of graphene oxide (GO) confined water molecules were calculated through experiments and molecular dynamics simulations. Experiments play a crucial role in the modeling strategy and verification of the simulation results. The binding of GO and water molecules is essentially controlled by hydrogen bond networks involving functional groups and water molecules confined in the GO layers. With the increase in the water content, the clusters of water molecules are more evident. The water molecules bounding to GO layers are transformed to a free state, making the removal of water molecules from the system difficult at low water contents. The diffuse behaviors of the water molecules are more evident at high water contents. With an increase in the water content, the functional groups are surrounded by fewer water molecules, and the distance between the functional groups and water molecules increases. As a result, the water molecules adsorbed into the GO interlamination will enlarge the interlayer spacing. The interlayer spacing is also affected by the number of GO layers. These results were confirmed by the calculations of number of hydrogen bonds, water state, mean square displacement, radial distribution function, and interlayer spacing of hydrated GO. Graphical Abstract This work research the interaction between GO functional groups and confined water molecules. The state of water molecules and interlayer spacing of graphene oxide were proved to be related to the number of hydrogen bonds.
Ultrastable α phase nickel hydroxide as energy storage materials for alkaline secondary batteries

NASA Astrophysics Data System (ADS)

Huang, Haili; Guo, Yinjian; Cheng, Yuanhui

2018-03-01

α Phase nickel hydroxide (α-Ni(OH)2) has higher theoretical capacity than that of commercial β phase Ni(OH)2. But the low stability inhibits its wide application in alkaline rechargeable batteries. Here, we propose a totally new idea to stabilize α phase Ni(OH)2 by introducing large organic molecule into the interlayer spacing together with doping multivalent cobalt into the layered Ni(OH)2 host. Ethylene glycol is served as neutral stabilizer in the interlayer spacing. Nickel is substituted by cobalt to increase the electrostatic attraction between layered Ni(OH)2 host and anion ions in the interlayer spacing. Polyethylene glycol (PEG-200) is utilized to design a three-dimensional network structure. This prepared α-Ni(OH)2-20 exhibits specific capacity as high as 334 mAh g-1and good structural stability even after immersing into strong alkaline zincate solution for 20 days. Ni(OH)2 electrode with a specific capacity of 35 mAh cm-2 is fabricated and used as positive electrode in zinc-nickel single flow batteries, which also shows good cycling stability. This result can provide an important guideline for the rational design and preparation of highly active and stable α phase Ni(OH)2 for alkaline secondary battery.
Tuning Coupling Behavior of Stacked Heterostructures Based on MoS2, WS2, and WSe2

PubMed Central

Wang, Fang; Wang, Junyong; Guo, Shuang; Zhang, Jinzhong; Hu, Zhigao; Chu, Junhao

2017-01-01

The interlayer interaction of vertically stacked heterojunctions is very sensitive to the interlayer spacing, which will affect the coupling between the monolayers and allow band structure modulation. Here, with the aid of density functional theory (DFT) calculations, an interesting phenomenon is found that MoS2-WS2, MoS2-WSe2, and WS2-WSe2 heterostructures turn into direct-gap semiconductors from indirect-gap semiconductors with increasing the interlayer space. Moreover, the electronic structure changing process with interlayer spacing of MoS2-WS2, MoS2-WSe2, and WS2-WSe2 is different from each other. With the help of variable-temperature spectral experiment, different electronic transition properties of MoS2-WS2, MoS2-WSe2, and WS2-WSe2 have been demonstrated. The transition transformation from indirect to direct can be only observed in the MoS2-WS2 heterostructure, as the valence band maximum (VBM) at the Γ point in the MoS2-WSe2 and WS2-WSe2 heterostructure is less sensitive to the interlayer spacing than those from the MoS2-WS2 heterostructure. The present work highlights the significance of the temperature tuning in interlayer coupling and advance the research of MoS2-WS2, MoS2-WSe2, and WS2-WSe2 based device applications. PMID:28303932
Dynamic Optical Tuning of Interlayer Interactions in the Transition Metal Dichalcogenides

DOE PAGES

Mannebach, Ehren M.; Nyby, Clara; Ernst, Friederike; ...

2017-11-09

Modulation of weak interlayer interactions between quasi-two-dimensional atomic planes in the transition metal dichalcogenides (TMDCs) provides avenues for tuning their functional properties. Here we show that above-gap optical excitation in the TMDCs leads to an unexpected large-amplitude, ultrafast compressive force between the two-dimensional layers, as probed by in situ measurements of the atomic layer spacing at femtosecond time resolution. We show that this compressive response arises from a dynamic modulation of the interlayer van der Waals interaction and that this represents the dominant light-induced stress at low excitation densities. A simple analytic model predicts the magnitude and carrier density dependencemore » of the measured strains. Furthermore, this work establishes a new method for dynamic, nonequilibrium tuning of correlation-driven dispersive interactions and of the optomechanical functionality of TMDC quasi-two-dimensional materials.« less
Self-Assembly of Alkylammonium Chains on Montmorillonite: Effect of Interlayer Cations, CEC, and Chain Length

NASA Astrophysics Data System (ADS)

Chen, Hua; Li, Yingjun; Zhou, Yuanlin; Wang, Shanqiang; Zheng, Jian; He, Jiacai

2017-12-01

Recently, polymeric materials have been filled with synthetic or natural inorganic compounds in order to improve their properties. Especially, polymer clay nanocomposites have attracted both academic and industrial attention. Currently, the structure and physical phenomena of organoclays at molecular level are difficultly explained by existing experimental techniques. In this work, molecular dynamics (MD) simulation was executed using the CLAYFF and CHARMM force fields to evaluate the structural properties of organoclay such as basal spacing, interlayer density, energy and the arrangement of alkyl chains in the interlayer spacing. Our results are in good agreement with available experimental or other simulation data. The effects of interlayer cations (Na+, K+, Ca2+), the cation exchange capacity, and the alkyl chain length on the basal spacing and the structural properties are estimated. These simulations are expected to presage the microstructure of organo-montmorillonite and lead relevant engineering applications.
Ion sieving in graphene oxide membranes via cationic control of interlayer spacing

NASA Astrophysics Data System (ADS)

Chen, Liang; Shi, Guosheng; Shen, Jie; Peng, Bingquan; Zhang, Bowu; Wang, Yuzhu; Bian, Fenggang; Wang, Jiajun; Li, Deyuan; Qian, Zhe; Xu, Gang; Liu, Gongping; Zeng, Jianrong; Zhang, Lijuan; Yang, Yizhou; Zhou, Guoquan; Wu, Minghong; Jin, Wanqin; Li, Jingye; Fang, Haiping

2017-10-01

Graphene oxide membranes—partially oxidized, stacked sheets of graphene—can provide ultrathin, high-flux and energy-efficient membranes for precise ionic and molecular sieving in aqueous solution. These materials have shown potential in a variety of applications, including water desalination and purification, gas and ion separation, biosensors, proton conductors, lithium-based batteries and super-capacitors. Unlike the pores of carbon nanotube membranes, which have fixed sizes, the pores of graphene oxide membranes—that is, the interlayer spacing between graphene oxide sheets (a sheet is a single flake inside the membrane)—are of variable size. Furthermore, it is difficult to reduce the interlayer spacing sufficiently to exclude small ions and to maintain this spacing against the tendency of graphene oxide membranes to swell when immersed in aqueous solution. These challenges hinder the potential ion filtration applications of graphene oxide membranes. Here we demonstrate cationic control of the interlayer spacing of graphene oxide membranes with ångström precision using K+, Na+, Ca2+, Li+ or Mg2+ ions. Moreover, membrane spacings controlled by one type of cation can efficiently and selectively exclude other cations that have larger hydrated volumes. First-principles calculations and ultraviolet absorption spectroscopy reveal that the location of the most stable cation adsorption is where oxide groups and aromatic rings coexist. Previous density functional theory computations show that other cations (Fe2+, Co2+, Cu2+, Cd2+, Cr2+ and Pb2+) should have a much stronger cation-π interaction with the graphene sheet than Na+ has, suggesting that other ions could be used to produce a wider range of interlayer spacings.
Polysulfide intercalated layered double hydroxides for metal capture applications

DOEpatents

Kanatzidis, Mercouri G.; Ma, Shulan

2017-04-04

Polysulfide intercalated layered double hydroxides and methods for their use in vapor and liquid-phase metal capture applications are provided. The layered double hydroxides comprise a plurality of positively charged host layers of mixed metal hydroxides separated by interlayer spaces. Polysulfide anions are intercalated in the interlayer spaces.
Large Frequency Change with Thickness in Interlayer Breathing Mode—Significant Interlayer Interactions in Few Layer Black Phosphorus

NASA Astrophysics Data System (ADS)

Luo, Xin; Lu, Xin; Koon, Gavin Kok Wai; Castro Neto, Antonio H.; Özyilmaz, Barbaros; Xiong, Qihua; Quek, Su Ying

2015-06-01

Bulk black phosphorus (BP) consists of puckered layers of phosphorus atoms. Few-layer BP, obtained from bulk BP by exfoliation, is an emerging candidate as a channel material in post-silicon electronics. A deep understanding of its physical properties and its full range of applications are still being uncovered. In this paper, we present a theoretical and experimental investigation of phonon properties in few-layer BP, focusing on the low-frequency regime corresponding to interlayer vibrational modes. We show that the interlayer breathing mode A3g shows a large redshift with increasing thickness; the experimental and theoretical results agreeing well. This thickness dependence is two times larger than that in the chalcogenide materials such as few-layer MoS2 and WSe2, because of the significantly larger interlayer force constant and smaller atomic mass in BP. The derived interlayer out-of-plane force constant is about 50% larger than that in graphene and MoS2. We show that this large interlayer force constant arises from the sizable covalent interaction between phosphorus atoms in adjacent layers, and that interlayer interactions are not merely of the weak van der Waals type. These significant interlayer interactions are consistent with the known surface reactivity of BP, and have been shown to be important for electric-field induced formation of Dirac cones in thin film BP.

Large Frequency Change with Thickness in Interlayer Breathing Mode--Significant Interlayer Interactions in Few Layer Black Phosphorus.

PubMed

Luo, Xin; Lu, Xin; Koon, Gavin Kok Wai; Castro Neto, Antonio H; Özyilmaz, Barbaros; Xiong, Qihua; Quek, Su Ying

2015-06-10

Bulk black phosphorus (BP) consists of puckered layers of phosphorus atoms. Few-layer BP, obtained from bulk BP by exfoliation, is an emerging candidate as a channel material in post-silicon electronics. A deep understanding of its physical properties and its full range of applications are still being uncovered. In this paper, we present a theoretical and experimental investigation of phonon properties in few-layer BP, focusing on the low-frequency regime corresponding to interlayer vibrational modes. We show that the interlayer breathing mode A(3)g shows a large redshift with increasing thickness; the experimental and theoretical results agree well. This thickness dependence is two times larger than that in the chalcogenide materials, such as few-layer MoS2 and WSe2, because of the significantly larger interlayer force constant and smaller atomic mass in BP. The derived interlayer out-of-plane force constant is about 50% larger than that of graphene and MoS2. We show that this large interlayer force constant arises from the sizable covalent interaction between phosphorus atoms in adjacent layers and that interlayer interactions are not merely of the weak van der Waals type. These significant interlayer interactions are consistent with the known surface reactivity of BP and have been shown to be important for electric-field induced formation of Dirac cones in thin film BP.
Structural evolution of Ti destroyable interlayer in large-size diamond film deposition by DC arc plasma jet

NASA Astrophysics Data System (ADS)

Guo, Jianchao; Li, Chengming; Liu, Jinlong; Wei, Junjun; Chen, Liangxian; Hua, Chenyi; Yan, Xiongbo

2016-05-01

The addition of titanium (Ti) interlayer was verified to reduce the residual stress of diamond films by self-fracturing and facilitate the harvest of a crack-free free-standing diamond film prepared by direct current (DC) arc plasma jet. In this study, the evolution of the Ti interlayer between large-area diamond film and substrate was studied and modeled in detail. The evolution of the interlayer was found to be relevant to the distribution of the DC arc plasma, which can be divided into three areas (arc center, arc main, and arc edge). The formation rate of titanium carbide (TiC) in the arc main was faster than in the other two areas and resulted in the preferred generation of crack in the diamond film in the arc main during cooling. Sandwich structures were formed along with the growth of TiC until the complete transformation of the Ti interlayer. The interlayer released stress via self-fracture. Avoiding uneven fragile regions that formed locally in the interlayer and achieving cooperatively released stress are crucial for the preparation of large crack-free diamond films.
Interlayer interactions in graphites.

PubMed

Chen, Xiaobin; Tian, Fuyang; Persson, Clas; Duan, Wenhui; Chen, Nan-xian

2013-11-06

Based on ab initio calculations of both the ABC- and AB-stacked graphites, interlayer potentials (i.e., graphene-graphene interaction) are obtained as a function of the interlayer spacing using a modified Möbius inversion method, and are used to calculate basic physical properties of graphite. Excellent consistency is observed between the calculated and experimental phonon dispersions of AB-stacked graphite, showing the validity of the interlayer potentials. More importantly, layer-related properties for nonideal structures (e.g., the exfoliation energy, cleave energy, stacking fault energy, surface energy, etc.) can be easily predicted from the interlayer potentials, which promise to be extremely efficient and helpful in studying van der Waals structures.
Effects of exchanged cation on the microporosity of montmorillonite

USGS Publications Warehouse

Rutherford, David W.; Chiou, Cary T.; Eberl, Dennis D.

1997-01-01

The micropore volumes of 2 montmorillonites (SAz-1 and SWy-1), each exchanged with Ca, Na, K, Cs and tetramethylammonium (TMA) ions, were calculated from the measured vapor adsorption data of N2 and neo-hexane by use of t- and αs-plots. The corresponding surface areas of the exchanged clays were determined from Brunauer-Emmett-Teller (BET) plots of N2 adsorption data. Micropore volumes and surface areas of the samples increased with the size of exchanged cation: TMA > Cs > K > Ca > Na. The SAz-1 exchanged clays showed generally greater micropore volumes and surface areas than the corresponding SWy-1 clays. The vapor adsorption data and d(001) measurements for dry clay samples were used together to evaluate the likely locations and accessibility of clay micropores, especially the relative accessibility of their interlayer spacing. For both source clays exchanged with Na, Ca and K ions, the interlayer spacing appeared to be too small to admit nonpolar gases and the accessible micropores appeared to have dimensions greater than 5.0 Å, the limiting molecular dimension of neo-hexane. In these systems, there was a good consistency of micropore volumes detected by N2 and neo-hexane. When the clays were intercalated with relatively large cations (TMA and possibly Cs), the large layer expansion created additional microporosity, which was more readily accessible to small N2 than to relatively large neo-hexane. Hence, the micropore volume as detected by N2 was greater than that detected by neo-hexane. The micropore volumes with pore dimensions greater than 5 Å determined for clays exchanged with Na, Ca and K likely resulted from the pores on particle edges and void created by overlap regions of layers. The increase in micropore volumes with pore dimensions less than 5 Å determined for clays exchanged with TMA and possibly Cs could be caused by opening of the interlayer region by the intercalation of these large cations.
Mineralogy of a mudstone at Yellowknife Bay, Gale crater, Mars.

PubMed

Vaniman, D T; Bish, D L; Ming, D W; Bristow, T F; Morris, R V; Blake, D F; Chipera, S J; Morrison, S M; Treiman, A H; Rampe, E B; Rice, M; Achilles, C N; Grotzinger, J P; McLennan, S M; Williams, J; Bell, J F; Newsom, H E; Downs, R T; Maurice, S; Sarrazin, P; Yen, A S; Morookian, J M; Farmer, J D; Stack, K; Milliken, R E; Ehlmann, B L; Sumner, D Y; Berger, G; Crisp, J A; Hurowitz, J A; Anderson, R; Des Marais, D J; Stolper, E M; Edgett, K S; Gupta, S; Spanovich, N

2014-01-24

Sedimentary rocks at Yellowknife Bay (Gale crater) on Mars include mudstone sampled by the Curiosity rover. The samples, John Klein and Cumberland, contain detrital basaltic minerals, calcium sulfates, iron oxide or hydroxides, iron sulfides, amorphous material, and trioctahedral smectites. The John Klein smectite has basal spacing of ~10 angstroms, indicating little interlayer hydration. The Cumberland smectite has basal spacing at both ~13.2 and ~10 angstroms. The larger spacing suggests a partially chloritized interlayer or interlayer magnesium or calcium facilitating H2O retention. Basaltic minerals in the mudstone are similar to those in nearby eolian deposits. However, the mudstone has far less Fe-forsterite, possibly lost with formation of smectite plus magnetite. Late Noachian/Early Hesperian or younger age indicates that clay mineral formation on Mars extended beyond Noachian time.
Membrane of Functionalized Reduced Graphene Oxide Nanoplates with Angstrom-Level Channels

PubMed Central

Lee, Byeongho; Li, Kunzhou; Yoon, Hong Sik; Yoon, Jeyong; Mok, Yeongbong; Lee, Yan; Lee, Hong H.; Kim, Yong Hyup

2016-01-01

Membranes with atomic level pores or constrictions are valuable for separation and catalysis. We report a graphene-based membrane with an interlayer spacing of 3.7 angstrom (Å). When graphene oxide nanoplates are functionalized and then reduced, the laminated reduced graphene oxide (rGO) nanoplates or functionalized rGO membrane is little affected by an intercalated fluid, and the interlayer spacing of 3.7 Å increases only to 4.4 Å in wetted state, in contrast to the graphene oxide (GO) membrane whose interlayer spacing increases from 9 Å to 13 Å in wetted state. When applied to ion separation, this membrane reduced the permeation rate of small ions such as K+ and Na+ by three orders of magnitude compared to the GO membrane. PMID:27306853
Voltage-controlled interlayer coupling in perpendicularly magnetized magnetic tunnel junctions

DOE PAGES

Newhouse-Illige, Ty; Liu, Yaohua; Xu, M.; ...

2017-05-16

Magnetic interlayer coupling is one of the central phenomena in spintronics. It has been predicted that the sign of interlayer coupling can be manipulated by electric fields, instead of electric currents, thereby offering a promising low energy magnetization switching mechanism. Here we present the experimental demonstration of voltage-controlled interlayer coupling in a new perpendicular magnetic tunnel junction system with a GdO x tunnel barrier, where a large perpendicular magnetic anisotropy and a sizable tunnelling magnetoresistance have been achieved at room temperature. Owing to the interfacial nature of the magnetism, the ability to move oxygen vacancies within the barrier, and amore » large proximity-induced magnetization of GdO x, both the magnitude and the sign of the interlayer coupling in these junctions can be directly controlled by voltage. Lastly, these results pave a new path towards achieving energy-efficient magnetization switching by controlling interlayer coupling.« less
Voltage-controlled interlayer coupling in perpendicularly magnetized magnetic tunnel junctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newhouse-Illige, Ty; Liu, Yaohua; Xu, M.

Magnetic interlayer coupling is one of the central phenomena in spintronics. It has been predicted that the sign of interlayer coupling can be manipulated by electric fields, instead of electric currents, thereby offering a promising low energy magnetization switching mechanism. Here we present the experimental demonstration of voltage-controlled interlayer coupling in a new perpendicular magnetic tunnel junction system with a GdO x tunnel barrier, where a large perpendicular magnetic anisotropy and a sizable tunnelling magnetoresistance have been achieved at room temperature. Owing to the interfacial nature of the magnetism, the ability to move oxygen vacancies within the barrier, and amore » large proximity-induced magnetization of GdO x, both the magnitude and the sign of the interlayer coupling in these junctions can be directly controlled by voltage. Lastly, these results pave a new path towards achieving energy-efficient magnetization switching by controlling interlayer coupling.« less
Electrochemical and in-situ X-ray diffraction studies of Ti 3C 2T x MXene in ionic liquid electrolyte

DOE PAGES

Lin, Zifeng; Rozier, Patrick; Duployer, Benjamin; ...

2016-08-26

2D titanium carbide (Ti 3C 2T x MXene) showed good capacitance in both organic and neat ionic liquid electrolytes, but its charge storage mechanism is still not fully understood. Here, electrochemical characteristics of Ti 3C 2T x electrode were studied in neat EMI-TFSI electrolyte. A capacitive behavior was observed within a large electrochemical potential range (from – 1.5 to 1.5 V vs. Ag). Intercalation and de-intercalation of EMI + cations and/or TFSI– anions were investigated by in-situ X-ray diffraction. Interlayer spacing of Ti 3C 2T x flakes decreases during positive polarization, which can be ascribed to either electrostatic attraction effectmore » between intercalated TFSI– anions and positively charged Ti 3C 2T x nanosheets or steric effect caused by de-intercalation of EMI + cations. In conclusion, the expansion of interlayer spacing when polarized to negative potentials is explained by steric effect of cation intercalation.« less
Effect of the crystal chemistry on the hydration mechanism of swelling micas

NASA Astrophysics Data System (ADS)

Pavón, Esperanza; Alba, María D.; Castro, Miguel A.; Cota, A.; Osuna, Francisco J.; Pazos, M. Carolina

2017-11-01

Swelling and dehydration under minor changes in temperature and water vapor pressure is an important property that clays and clay minerals exhibit. In particular, their interlayer space, the solid-water interface and the layers' collapse and re-expansion have received much attention because it affects to the dynamical properties of interlayer cations and thus the transfer and fate of water and pollutants. In this contribution, the dehydration and rehydration mechanism of a swelling high-charge mica family is examined by in situ X-ray Diffraction. The effect of the aluminosilicate layer charge and the physicochemical properties of the interlayer cations on these processes are analyzed. The results showed that the dehydration temperature and the number of steps involved in this process are related to the layer charge of the silicate and the physicochemical properties of the interlayer cations. Moreover, the ability to adsorb water molecules in a confined space with high electric field by the interlayer cations does not only depend on their hydration enthalpy but also on the electrostatic parameters of these cations.
PMMA interlayer-modulated memory effects by space charge polarization in resistive switching based on CuSCN-nanopyramids/ZnO-nanorods p-n heterojunction

PubMed Central

Cheng, Baochang; Zhao, Jie; Xiao, Li; Cai, Qiangsheng; Guo, Rui; Xiao, Yanhe; Lei, Shuijin

2015-01-01

Resistive switching (RS) devices are commonly believed as a promising candidate for next generation nonvolatile resistance random access memory. Here, polymethylmethacrylate (PMMA) interlayer was introduced at the heterointerface of p-CuSCN hollow nanopyramid arrays and n-ZnO nanorod arrays, resulting in a typical bipolar RS behavior. We propose the mechanism of nanostructure trap-induced space charge polarization modulated by PMMA interlayer. At low reverse bias, PMMA insulator can block charges through the heterointerface, and and trapped states are respectively created on both sides of PMMA, resulting in a high resistance state (HRS) due to wider depletion region. At high reverse bias, however, electrons and holes can cross PMMA interlayer by Fowler-Nordeim tunneling due to a massive tilt of energy band, and then inject into the traps of ZnO and CuSCN, respectively. and trapped states are created, resulting in the formation of degenerate semiconductors on both sides of PMMA. Therefore, quantum tunneling and space charge polarization lead to a low resistance state (LRS). At relatively high forward bias, subsequently, the trapped states of and are recreated due to the opposite injection of charges, resulting in a recovery of HRS. The introduction of insulating interlayer at heterointerface, point a way to develop next-generation nonvolatile memories. PMID:26648249
Long-Range Interactions Restrict Water Transport in Pyrophyllite Interlayers

DOE PAGES

Zarzycki, Piotr; Gilbert, Benjamin

2016-04-27

Water diffusion within smectite clay interlayers is reduced by confinement and hence is highly determined by the interlayer spacings that are adopted during swelling. However, a molecular understanding of the short-and long-range forces governing interlayer water structure and dynamics is lacking. Using molecular dynamics simulations of water intercalated between pyrophyllite (smectite prototype) layers we provide a detailed picture of the variation of interlayered water mobility accompanying smectite expansion. Subtle changes in hydrogen bond network structure cause significant changes in water mobility that is greater for stable hydration states and reduced for intermediate separations. By studying pyrophyllite with and without externalmore » water we reveal that long-range electrostatic forces apply a restraining effect upon interlayer water mobility. Our findings are relevant for broad range of confining nanostructures with walls thin enough to permit long-range interactions that could affect the mobility of confined solvent molecules and solute species.« less
Long-Range Interactions Restrict Water Transport in Pyrophyllite Interlayers

PubMed Central

Zarzycki, Piotr; Gilbert, Benjamin

2016-01-01

Water diffusion within smectite clay interlayers is reduced by confinement and hence is highly determined by the interlayer spacings that are adopted during swelling. However, a molecular understanding of the short- and long-range forces governing interlayer water structure and dynamics is lacking. Using molecular dynamics simulations of water intercalated between pyrophyllite (smectite prototype) layers we provide a detailed picture of the variation of interlayered water mobility accompanying smectite expansion. Subtle changes in hydrogen bond network structure cause significant changes in water mobility that is greater for stable hydration states and reduced for intermediate separations. By studying pyrophyllite with and without external water we reveal that long-range electrostatic forces apply a restraining effect upon interlayer water mobility. Our findings are relevant for broad range of confining nanostructures with walls thin enough to permit long-range interactions that could affect the mobility of confined solvent molecules and solute species. PMID:27118164
Time-varying multiplex network: Intralayer and interlayer synchronization

NASA Astrophysics Data System (ADS)

Rakshit, Sarbendu; Majhi, Soumen; Bera, Bidesh K.; Sinha, Sudeshna; Ghosh, Dibakar

2017-12-01

A large class of engineered and natural systems, ranging from transportation networks to neuronal networks, are best represented by multiplex network architectures, namely a network composed of two or more different layers where the mutual interaction in each layer may differ from other layers. Here we consider a multiplex network where the intralayer coupling interactions are switched stochastically with a characteristic frequency. We explore the intralayer and interlayer synchronization of such a time-varying multiplex network. We find that the analytically derived necessary condition for intralayer and interlayer synchronization, obtained by the master stability function approach, is in excellent agreement with our numerical results. Interestingly, we clearly find that the higher frequency of switching links in the layers enhances both intralayer and interlayer synchrony, yielding larger windows of synchronization. Further, we quantify the resilience of synchronous states against random perturbations, using a global stability measure based on the concept of basin stability, and this reveals that intralayer coupling strength is most crucial for determining both intralayer and interlayer synchrony. Lastly, we investigate the robustness of interlayer synchronization against a progressive demultiplexing of the multiplex structure, and we find that for rapid switching of intralayer links, the interlayer synchronization persists even when a large number of interlayer nodes are disconnected.
Time-varying multiplex network: Intralayer and interlayer synchronization.

PubMed

Rakshit, Sarbendu; Majhi, Soumen; Bera, Bidesh K; Sinha, Sudeshna; Ghosh, Dibakar

2017-12-01

A large class of engineered and natural systems, ranging from transportation networks to neuronal networks, are best represented by multiplex network architectures, namely a network composed of two or more different layers where the mutual interaction in each layer may differ from other layers. Here we consider a multiplex network where the intralayer coupling interactions are switched stochastically with a characteristic frequency. We explore the intralayer and interlayer synchronization of such a time-varying multiplex network. We find that the analytically derived necessary condition for intralayer and interlayer synchronization, obtained by the master stability function approach, is in excellent agreement with our numerical results. Interestingly, we clearly find that the higher frequency of switching links in the layers enhances both intralayer and interlayer synchrony, yielding larger windows of synchronization. Further, we quantify the resilience of synchronous states against random perturbations, using a global stability measure based on the concept of basin stability, and this reveals that intralayer coupling strength is most crucial for determining both intralayer and interlayer synchrony. Lastly, we investigate the robustness of interlayer synchronization against a progressive demultiplexing of the multiplex structure, and we find that for rapid switching of intralayer links, the interlayer synchronization persists even when a large number of interlayer nodes are disconnected.
Synthesis and Optical Properties of MnS–ZnS and MnS–CdS Nanoparticles in Montmorillonite.

PubMed

Kabilaphat, Jirabhorn; Poosimma, Poonsuk; Khaorapapong, Nithima; Intachai, Sonchai; Ogawa, Makoto

2017-02-01

The incorporation of metal sulfide mixture, manganese sulfide and zinc sulfide (MnS–ZnS) or manganese sulfide and cadmium sulfide (MnS–CdS), in two types of montmorillonites (sodium montmorillonite and cetyltrimethylammonium modified montmorillonite) was investigated. The hybrids were characterized by powder X-ray diffraction, thermogravimetric-differential thermal analysis, transmission electron microscopy (TEM), and Raman, UV-visible and photoluminescence spectroscopies. The experimental evidences such as the expansion of the interlayer spaces and the presence of the absorption and photoluminescence due to MnS, ZnS and/or CdS revealed that the mixed metal sulfides formed in the interlayer space of montmorillonites. TEM images of the hybrids showed diskor plate-shaped nanoparticles with a mean diameter of ca. 2 nm. The increase of the luminescence intensities of the hybrids was assumed to be caused by quantum confinement effect in the interlayer space of montmorillonite.
Structural characterization of graphene layers in various Indian coals by X-Ray Diffraction technique

NASA Astrophysics Data System (ADS)

Manoj, B.; Kunjomana, A. G.

2015-02-01

The results of the structural investigation of three Indian coals showed that, the structural parameters like fa & Lc increased where as interlayer spacing d002 decreased with increase in carbon content, aromaticity and coal rank. These structural parameters change just opposite with increase in volatile matter content. Considering the 'turbostratic' structure for coals, the minimum separation between aromatic lamellae was found to vary between 3.34 to 3.61 A° for these coals. As the aromaticity increased, the interlayer spacing decreased an indication of more graphitization of the sample. Volatile matter and carbon content had a strong influence on the aromaticity, interlayer spacing and stacking height on the sample. The average number of carbon atoms per aromatic lamellae and number of layers in the lamellae was found to be 16-21 and 7-8 for all the samples.
Reduction of biselenites into polyselenides in interlayer space of layered double hydroxides

NASA Astrophysics Data System (ADS)

Kim, Myeong Shin; Lee, Yongju; Park, Yong-Min; Cha, Ji-Hyun; Jung, Duk-Young

2018-06-01

A selenous acid (H2SeO3) precursor was intercalated as biselenite (HSeO3-) ions into the interlayer gallery of carbonated magnesium aluminum layered double hydroxide (MgAl-LDH) in aqueous solution. Reduction reaction of selenous ions by aqueous hydrazine solution produced polyselenide intercalated LDHs which were consecutively exchanged with iodide through redox reaction under iodine vapor. The polyselenide containing LDHs adsorbed iodine vapor spontaneously and triiodide was incorporated in the interlayer space followed by formation of selenium polycrystalline phase. Two dimensional framework of MgAl-LDH is strong enough to resist against the reducing power of hydrazine as well as oxidation condition of iodine. The SEM data demonstrated that the shapes of LDH polycrystalline have little changed after the above redox reactions. The polyselenide and iodide LDH products were analyzed by XRD, Infrared and Raman spectra which strongly suggested the horizontal arrangement of polyselenide and triiodide in gallery space of LDHs.
Water Structure and Dynamics in Smectites: X-ray Diffraction and 2 H NMR Spectroscopy of Mg–, Ca–, Sr–, Na–, Cs–, and Pb–Hectorite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reddy, U. Venkateswara; Bowers, Geoffrey M.; Loganathan, Narasimhan

2016-04-06

Variable-temperature X-ray diffraction and 2H NMR spectroscopy of the smectite mineral, hectorite, containing interlayer Na +, K +, Cs +, Mg 2+, Ca 2+, Sr 2+, and Pb 2+ equilibrated at 43% relative humidity (RH) and mixed with 2H 2O to form a paste provide a comprehensive picture of the structural environments and dynamics of interlayer 2H 2O and the relationships of these properties to interlayer hydration state, the hydration energy and polarizability of the cation, temperature, and the formation of ice-1h in the interparticle pores. The variation in basal spacing shown by the XRD data correlates well with themore » 2H NMR behavior, and the XRD data show for the first time in hectorites that crystallization of interparticle ice-1h causes a decrease in the interlayer spacing, likely due to removal of interlayer 2H 2O. The variation of the 2H NMR behavior of all the samples with decreasing temperature reflects decreasing frequencies of motion for the rotation of the 2H 2O molecules around their dipoles, reorientation of the 2H 2O molecules, and exchange of the 2H 2O molecules between interlayer sites coordinated to and not coordinated to the cations.« less
Graphene-Like-Graphite as Fast-Chargeable and High-Capacity Anode Materials for Lithium Ion Batteries.

PubMed

Cheng, Qian; Okamoto, Yasuharu; Tamura, Noriyuki; Tsuji, Masayoshi; Maruyama, Shunya; Matsuo, Yoshiaki

2017-11-01

Here we propose the use of a carbon material called graphene-like-graphite (GLG) as anode material of lithium ion batteries that delivers a high capacity of 608 mAh/g and provides superior rate capability. The morphology and crystal structure of GLG are quite similar to those of graphite, which is currently used as the anode material of lithium ion batteries. Therefore, it is expected to be used in the same manner of conventional graphite materials to fabricate the cells. Based on the data obtained from various spectroscopic techniques, we propose a structural GLG model in which nanopores and pairs of C-O-C units are introduced within the carbon layers stacked with three-dimensional regularity. Three types of highly ionic lithium ions are found in fully charged GLG and stored between its layers. The oxygen atoms introduced within the carbon layers seem to play an important role in accommodating a large amount of lithium ions in GLG. Moreover, the large increase in the interlayer spacing observed for fully charged GLG is ascribed to the migration of oxygen atoms within the carbon layer introduced in the state of C-O-C to the interlayer space maintaining one of the C-O bonds.

Unequal density effect on static structure factor of coupled electron layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saini, L. K., E-mail: lks@ashd.svnit.ac.in; Nayak, Mukesh G., E-mail: lks@ashd.svnit.ac.in

In order to understand the ordered phase, if any, in a real coupled electron layers (CEL), there is a need to take into account the effect of unequal layer density. Such phase is confirmed by a strong peak in a static structure factor. With the aid of quantum/dynamical version of Singwi, Tosi, Land and Sjölander (so-called qSTLS) approximation, we have calculated the intra- and interlayer static structure factors, S{sub ll}(q) and S{sub 12}(q), over a wide range of density parameter r{sub sl} and interlayer spacing d. In our present study, the sharp peak in S{sub 22}(q) has been found atmore » critical density with sufficiently lower interlayer spacing. Further, to find the resultant effect of unequal density on intra- and interlayer static structure factors, we have compared our results with that of the recent CEL system with equal layer density and isolated single electron layer.« less
Origins of interlayer formation and misfit dislocation displacement in the vicinity of InAs/GaAs quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, S.; Kim, S. J.; Pan, X. Q.

We have examined the origins of interlayer formation and misfit dislocation (MD) displacement in the vicinity of InAs/GaAs quantum dots (QDs). For QDs formed by the Stranski-Krastanov mode, regularly spaced MDs nucleate at the interface between the QD and the GaAs buffer layer. In the droplet epitaxy case, both In island formation and In-induced “nano-drilling” of the GaAs buffer layer are observed during In deposition. Upon annealing under As flux, the In islands are converted to InAs QDs, with an InGaAs interlayer at the QD/buffer interface. Meanwhile, MDs nucleate at the QD/interlayer interface.
Mechanism Responsible for Intercalation of Dimethyl Sulfoxide in Kaolinite: Molecular Dynamics Simulations.

PubMed

Zhang, Shuai; Liu, Qinfu; Cheng, Hongfei; Gao, Feng; Liu, Cun; Teppen, Brian J

2018-01-01

Intercalation is the promising strategy to expand the interlayer region of kaolinite for their further applications. Herein, the adaptive biasing force (ABF) accelerated molecular dynamics simulations were performed to calculate the free energies involved in the kaolinite intercalation by dimethyl sulfoxide (DMSO). Additionally, the classical all atom molecular dynamics simulations were carried out to calculate the interfacial interactions between kaolinite interlayer surfaces and DMSO with the aim at exploring the underlying force that drives the DMSO to enter the interlayer space. The results showed that the favorable interaction of DMSO with both kaolinite interlayer octahedral surface and tetrahedral surface can help in introducing DMSO enter kaolinite interlayer. The hydroxyl groups on octahedral surface functioned as H-donors attracting the S=O groups of DMSO through hydrogen bonding interaction. The tetrahedral surface featuring hydrophobic property attracted the methyl groups of DMSO through hydrophobic interaction. The results provided a detailed picture of the energetics and interlayer structure of kaolinite-DMSO intercalate.
Strain modulation-enhanced Mg acceptor activation efficiency of Al0.14Ga0.86N/GaN superlattices with AlN interlayer

NASA Astrophysics Data System (ADS)

Wang, Lei; Li, Rui; Li, Ding; Liu, Ningyang; Liu, Lei; Chen, Weihua; Wang, Cunda; Yang, Zhijian; Hu, Xiaodong

2010-02-01

AlN layer was grown as interlayer between undoped GaN and Mg doped Al0.14Ga0.86N/GaN superlattices (SLs) epilayer to modulate the strain distribution between Al0.14Ga0.86N barrier and GaN well layers in SLs sample. Strain relaxation was observed in the SLs sample with AlN interlayer by x-ray diffraction reciprocal space mapping method. The measured hole concentration of SLs sample with AlN interlayer at room temperature was over 1.6×1018 cm-3 but that was only 6.6×1016 cm-3 obtained in SLs sample without AlN interlayer. Variable temperature Hall-effect measurement showed that the acceptor activation energy decreased from 150 to 70 meV after inserting the AlN layer, which indicated that the strain modulation of SLs induced by AlN interlayer was beneficial to the Mg acceptor activation and hole concentration enhancement.
Intercalation and retention of carbon dioxide in a smectite clay promoted by interlayer cations.

PubMed

Michels, L; Fossum, J O; Rozynek, Z; Hemmen, H; Rustenberg, K; Sobas, P A; Kalantzopoulos, G N; Knudsen, K D; Janek, M; Plivelic, T S; da Silva, G J

2015-03-05

A good material for CO2 capture should possess some specific properties: (i) a large effective surface area with good adsorption capacity, (ii) selectivity for CO2, (iii) regeneration capacity with minimum energy input, allowing reutilization of the material for CO2 adsorption, and (iv) low cost and high environmental friendliness. Smectite clays are layered nanoporous materials that may be good candidates in this context. Here we report experiments which show that gaseous CO2 intercalates into the interlayer nano-space of smectite clay (synthetic fluorohectorite) at conditions close to ambient. The rate of intercalation, as well as the retention ability of CO2 was found to be strongly dependent on the type of the interlayer cation, which in the present case is Li(+), Na(+) or Ni(2+). Interestingly, we observe that the smectite Li-fluorohectorite is able to retain CO2 up to a temperature of 35°C at ambient pressure, and that the captured CO2 can be released by heating above this temperature. Our estimates indicate that smectite clays, even with the standard cations analyzed here, can capture an amount of CO2 comparable to other materials studied in this context.
Intercalation and Retention of Carbon Dioxide in a Smectite Clay promoted by Interlayer Cations

PubMed Central

Michels, L.; Fossum, J. O.; Rozynek, Z.; Hemmen, H.; Rustenberg, K.; Sobas, P. A.; Kalantzopoulos, G. N.; Knudsen, K. D.; Janek, M.; Plivelic, T. S.; da Silva, G. J.

2015-01-01

A good material for CO2 capture should possess some specific properties: (i) a large effective surface area with good adsorption capacity, (ii) selectivity for CO2, (iii) regeneration capacity with minimum energy input, allowing reutilization of the material for CO2 adsorption, and (iv) low cost and high environmental friendliness. Smectite clays are layered nanoporous materials that may be good candidates in this context. Here we report experiments which show that gaseous CO2 intercalates into the interlayer nano-space of smectite clay (synthetic fluorohectorite) at conditions close to ambient. The rate of intercalation, as well as the retention ability of CO2 was found to be strongly dependent on the type of the interlayer cation, which in the present case is Li+, Na+ or Ni2+. Interestingly, we observe that the smectite Li-fluorohectorite is able to retain CO2 up to a temperature of 35°C at ambient pressure, and that the captured CO2 can be released by heating above this temperature. Our estimates indicate that smectite clays, even with the standard cations analyzed here, can capture an amount of CO2 comparable to other materials studied in this context. PMID:25739522
Effective Interlayer Engineering of Two-Dimensional VOPO4 Nanosheets via Controlled Organic Intercalation for Improving Alkali Ion Storage.

PubMed

Peng, Lele; Zhu, Yue; Peng, Xu; Fang, Zhiwei; Chu, Wangsheng; Wang, Yu; Xie, Yujun; Li, Yafei; Cha, Judy J; Yu, Guihua

2017-10-11

Two-dimensional (2D) energy materials have shown the promising electrochemical characteristics for lithium ion storage. However, the decreased active surfaces and the sluggish charge/mass transport for beyond-lithium ion storage that has potential for large-scale energy storage systems, such as sodium or potassium ion storage, caused by the irreversible restacking of 2D materials during electrode processing remain a major challenge. Here we develop a general interlayer engineering strategy to address the above-mentioned challenges by using 2D ultrathin vanadyl phosphate (VOPO 4 ) nanosheets as a model material for challenging sodium ion storage. Via controlled intercalation of organic molecules, such as triethylene glycol and tetrahydrofuran, the sodium ion transport in VOPO 4 nanosheets has been significantly improved. In addition to advanced characterization including X-ray diffraction, high-resolution transmission electron microscopy, and X-ray absorption fine structure to characterize the interlayer and the chemical bonding/configuration between the organic intercalants and the VOPO 4 host layers, density functional theory calculations are also performed to understand the diffusion behavior of sodium ions in the pure and TEG intercalated VOPO 4 nanosheets. Because of the expanded interlayer spacing in combination with the decreased energy barriers for sodium ion diffusion, intercalated VOPO 4 nanosheets show much improved sodium ion transport kinetics and greatly enhanced rate capability and cycling stability for sodium ion storage. Our results afford deeper understanding of the interlayer-engineering strategy to improve the sodium ion storage performance of the VOPO 4 nanosheets. Our results may also shed light on possible multivalent-ion based energy storage such as Mg 2+ and Al 3+ .
Interlayer-Spacing-Regulated VOPO4 Nanosheets with Fast Kinetics for High-Capacity and Durable Rechargeable Magnesium Batteries.

PubMed

Zhou, Limin; Liu, Qi; Zhang, Zihe; Zhang, Kai; Xiong, Fangyu; Tan, Shuangshuang; An, Qinyou; Kang, Yong-Mook; Zhou, Zhen; Mai, Liqiang

2018-06-25

Owing to the low-cost, safety, dendrite-free formation, and two-electron redox properties of magnesium (Mg), rechargeable Mg batteries are considered as promising next-generation secondary batteries with high specific capacity and energy density. However, the clumsy Mg 2+ with high polarity inclines to sluggish Mg insertion/deinsertion, leading to inadequate reversible capacity and rate performance. Herein, 2D VOPO 4 nanosheets with expanded interlayer spacing (1.42 nm) are prepared and applied in rechargeable magnesium batteries for the first time. The interlayer expansion provides enough diffusion space for fast kinetics of MgCl + ion flux with low polarization. Benefiting from the structural configuration, the Mg battery exhibits a remarkable reversible capacity of 310 mAh g -1 at 50 mA g -1 , excellent rate capability, and good cycling stability (192 mAh g -1 at 100 mA g -1 even after 500 cycles). In addition, density functional theory (DFT) computations are conducted to understand the electrode behavior with decreased MgCl + migration energy barrier compared with Mg 2+ . This approach, based on the regulation of interlayer distance to control cation insertion, represents a promising guideline for electrode material design on the development of advanced secondary multivalent-ion batteries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Porous Hard Carbon Derived from Walnut Shell as an Anode Material for Sodium-Ion Batteries

NASA Astrophysics Data System (ADS)

Zhang, Sensen; Li, Ying; Li, Min

2018-02-01

Porous hard carbon with large interlayer distance was fabricated from walnut shells through a facile high-temperature pyrolysis process and investigated as an anode material for sodium-ion batteries (SIBs). The results show that the electrochemical performance is mainly dependent on the pyrolysis temperature. The porous hard carbon, which was carbonized at 1300°C, displays the highest reversible capacity of 230 mAh g-1 at 20 mA g-1 and an excellent cycling stability (96% capacity retained over 200 cycles). The promising electrochemical performances are attributed to the porous structure reducing distances for sodium ion diffusion and expanded interlayer spacing, which is beneficial for sodium reversible insertion/extraction. The excellent electrochemical performance as well as the low-cost and environmental friendliness demonstrates that walnut shell-derived porous hard carbon is a promising anode material candidate for SIBs.
The synthesis and application of pillared clays prepared from charge reduced montmorillonite

NASA Astrophysics Data System (ADS)

Engwall, Erik Edwin

The synthesis of pillared interlayered clays (PILCs) makes use of the cation exchange capacity (CEC) of clay minerals to prop their structures open with large hydroxy-metal cations. Homo-ionic Ca-Montmorillonite with a CEC of 83.9 meq/100 g has been partially exchanged with varied amounts of Li+ and heated to 200°C for 24 hours. These have been used to produce Zr and Al PILCs making use of ethanol/water synthesis solutions to overcome the hydrophobic nature of the clay. For the Zr-PILC system, the d(001) spacings determined by x-ray diffraction (XRD) were relatively constant at 19.0--20.1 A with respect to changing the unpillared CEC. The Zr-PILCs had type I isotherms for argon at 87 K and for benzene, p-xylene and 1,3,5-trimethylbenzene adsorption at 30°C. Several Al-PILC synthesis procedures were evaluated and all produced materials whose adsorption capacity decreased with decreasing unpillared CEC. This reduction in adsorption capacity with unpillared CEC could be partially overcome by the combined use of ethanol/water pillaring solutions with ethanol/water washing. Previously unreported d(001) values in the range of 26.8 to 29.8 A were observed in Al-PILCs and were often bimodal with the expected values of about 18 A. These larger d(001) values were most prevalent at lower CEC values, if pillaring conditions favored the formation of polymeric species other than the Keggin cation. A new micropore size distribution model was developed to better understand PILC pore structure. The new model was compared to the Horvath and Kawazoe (1983) model (HK) and the Cheng and Yang (1994) model (CY) using argon adsorption at 87 K on Zr and Al-PILCs. The interlayer spacings determined by XRD for the test PILCs were 9.5 and 8.5 A for Zr and Al-PILCs respectively. Pore sizes predicted by the new model were 7.5 and 7.3 A for Zr and Al-PILCs respectively. The new model consistently predicts values that are closer to the interlayer spacing than either the HK or CY models. The new model showed little change in pore size with changes in unpillared CEC for the Zr-PILC system. These results indicate that the limiting dimension in the PILC pore system is the inter-layer spacing and not the inter-pillar spacing. (Abstract shortened by UMI.)
Interlayer toughening of fiber composite flywheel rotors

DOEpatents

Groves, Scott E.; Deteresa, Steven J.

1998-01-01

An interlayer toughening mechanism to mitigate the growth of damage in fiber composite flywheel rotors for long application. The interlayer toughening mechanism may comprise one or more tough layers composed of high-elongation fibers, high-strength fibers arranged in a woven pattern at a range from 0.degree. to 90.degree. to the rotor axis and bound by a ductile matrix material which adheres to and is compatible with the materials used for the bulk of the rotor. The number and spacing of the tough interlayers is a function of the design requirements and expected lifetime of the rotor. The mechanism has particular application in uninterruptable power supplies, electrical power grid reservoirs, and compulsators for electric guns, as well as electromechanical batteries for vehicles.
Interlayer toughening of fiber composite flywheel rotors

DOEpatents

Groves, S.E.; Deteresa, S.J.

1998-07-14

An interlayer toughening mechanism is described to mitigate the growth of damage in fiber composite flywheel rotors for long application. The interlayer toughening mechanism may comprise one or more tough layers composed of high-elongation fibers, high-strength fibers arranged in a woven pattern at a range from 0{degree} to 90{degree} to the rotor axis and bound by a ductile matrix material which adheres to and is compatible with the materials used for the bulk of the rotor. The number and spacing of the tough interlayers is a function of the design requirements and expected lifetime of the rotor. The mechanism has particular application in uninterruptable power supplies, electrical power grid reservoirs, and compulsators for electric guns, as well as electromechanical batteries for vehicles. 2 figs.
Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

NASA Astrophysics Data System (ADS)

Maluangnont, Tosapol; Arsa, Pornanan; Limsakul, Kanokporn; Juntarachairot, Songsit; Sangsan, Saithong; Gotoh, Kazuma; Sooknoi, Tawan

2016-06-01

While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O2- sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K0.8Zn0.4Ti1.6O4 as an example. The low basicity (0.04 mmol CO2/g) and low desorption temperature (50-300 °C) shown by CO2- TPD suggests that O2- sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO2. The liquid-phase adsorption study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C16 acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O2- sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast 1H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C31 ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at TiIV sites was also illustrated.
Interlayer-Expanded Metal Sulfides on Graphene Triggered by a Molecularly Self-Promoting Process for Enhanced Lithium Ion Storage.

PubMed

Wang, Qingqing; Rui, Kun; Zhang, Chao; Ma, Zhongyuan; Xu, Jingsan; Sun, Wenping; Zhang, Weina; Zhu, Jixin; Huang, Wei

2017-11-22

A general synthetic approach has been demonstrated to fabricate three-dimensional (3D) structured metal sulfides@graphene, employing few-layered sulfide nanostructures with expanded interlayer spacing of the (002) plane (e.g., 0.98 nm for MoS 2 nanoclusters and 0.65 nm for VS 4 nanoribbons) and electrically conductive graphene as ideal building blocks. Here, small molecules (thioacetamide) acting as both the sulfur source and, more importantly, the structure-directing agent adjusting the interlayer spacing are wisely selected, further contributing to a sufficient space for ultrafast Li + ion intercalation. The appealing features of a mechanically robust backbone, ultrathin thickness, abundant exposure of interlayer edges, and good electrical conductivity in such 3D architectures are favorable for providing easy access for the electrolyte to the structures and offering a shortened diffusion length of Li + when utilized for energy storage. As a proof of concept, the electrochemical behavior of the resulting 3D structured metal sulfides@graphene as an anode material of lithium ion batteries (LIBs) is systematically investigated. As a consequence, high specific capacities, long lifespans, and superior rate capabilities have been realized in such well-designed architectures, e.g. maintaining a specific capacity as high as 965 mAh g -1 for 120 cycles for VS 4 @graphene and 1100 mAh g -1 for 150 cycles for MoS 2 @graphene.
Layered Structure and Swelling Behavior of a Multiple Hydrate-Forming Pharmaceutical Compound

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiang, Y.; Xu, W; Stephens, P

2009-01-01

Investigation of one anhydrous and four hydrated forms of a pharmaceutical compound (1) using both single-crystal and high-resolution powder X-ray diffraction methods revealed a two-dimensional framework which, upon exposure to moisture, absorbed water between the layers, causing the lattice to expand by as much as 20% of the axial length along a. The single-crystal structure was solved and refined for the pentahydrate form in space group C2 with unit cell parameters a = 36.961(5) Angstroms, b = 7.458(2) Angstroms, c = 20.691(4) Angstroms, e = 99.461(1), and V = 5626(4) Angstroms3. In the single-crystal structure the water layers were parallelmore » to the bc plane and sandwiched by the crystalline compound 1 framework. Upon a change of relative humidity, water goes in and out of the interlayer space with the retention of the layer structure of the development compound. Starting from the anhydrous form, each additional water of hydration increased the interlayer spacing of the pharmaceutical solid by 1.3 Angstroms, half the size of a water molecule. In an exploratory formulation, this expansion of interlayer spacing caused tablets to crack upon storage at high relative humidity.« less
Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doyle, Andrew D.; Bajdich, Michal; Vojvodic, Aleksandra

The nature of the electrochemical water splitting activity of layered pure and Fe-doped NiOOH is investigated using density functional theory calculations. We find similar thermodynamics for the oxygen evolution reaction (OER) intermediates between the layers of oxyhydroxides, that is, in the bulk of the materials as on the (001) surface. The effect of interlayer spacing on adsorption energy is affected by both the crystal structure and the level of hydrogenation of the active sites. For the Fe-doped NiOOH, we observe general weakening of binding between the different OER intermediates and the catalyst material. The calculated OER activity depends both onmore » doping and interlayer spacing, and our results are generally congruent with available experimental data. In conclusion, these results suggest that such interlayer “bulk” sites may contribute to measured OER activity for both the pure and Fe-doped NiOOH catalysts.« less
Theoretical Insights to Bulk Activity Towards Oxygen Evolution in Oxyhydroxides

DOE PAGES

Doyle, Andrew D.; Bajdich, Michal; Vojvodic, Aleksandra

2017-04-07

The nature of the electrochemical water splitting activity of layered pure and Fe-doped NiOOH is investigated using density functional theory calculations. We find similar thermodynamics for the oxygen evolution reaction (OER) intermediates between the layers of oxyhydroxides, that is, in the bulk of the materials as on the (001) surface. The effect of interlayer spacing on adsorption energy is affected by both the crystal structure and the level of hydrogenation of the active sites. For the Fe-doped NiOOH, we observe general weakening of binding between the different OER intermediates and the catalyst material. The calculated OER activity depends both onmore » doping and interlayer spacing, and our results are generally congruent with available experimental data. In conclusion, these results suggest that such interlayer “bulk” sites may contribute to measured OER activity for both the pure and Fe-doped NiOOH catalysts.« less
Maximizing synchronizability of duplex networks

NASA Astrophysics Data System (ADS)

Wei, Xiang; Emenheiser, Jeffrey; Wu, Xiaoqun; Lu, Jun-an; D'Souza, Raissa M.

2018-01-01

We study the synchronizability of duplex networks formed by two randomly generated network layers with different patterns of interlayer node connections. According to the master stability function, we use the smallest nonzero eigenvalue and the eigenratio between the largest and the second smallest eigenvalues of supra-Laplacian matrices to characterize synchronizability on various duplexes. We find that the interlayer linking weight and linking fraction have a profound impact on synchronizability of duplex networks. The increasingly large inter-layer coupling weight is found to cause either decreasing or constant synchronizability for different classes of network dynamics. In addition, negative node degree correlation across interlayer links outperforms positive degree correlation when most interlayer links are present. The reverse is true when a few interlayer links are present. The numerical results and understanding based on these representative duplex networks are illustrative and instructive for building insights into maximizing synchronizability of more realistic multiplex networks.
Methoxy-modified kaolinite as a novel carrier for high-capacity loading and controlled-release of the herbicide amitrole

PubMed Central

Tan, Daoyong; Yuan, Peng; Annabi-Bergaya, Faïza; Liu, Dong; He, Hongping

2015-01-01

Methoxy-modified kaolinite was used as a novel carrier for loading and release of the herbicide 3-amino-1,2,4-triazole, known as amitrole (abbreviated here as AMT). The methoxy modification made the interlayer space of the kaolinite available for AMT intercalation. The AMT loading content in methoxy-modified kaolinite reached up to 20.8 mass% (twice the loading content by unmodified kaolinite). About 48% of this amount is located in the interlayer space. The release profiles of the AMT fit with the modified Korsmeyer-Peppas model. Due to the diffusional restriction of the intercalated AMT by the lamellar structure of the kaolinite and the strong electrostatic attraction between the intercalated AMT and the kaolinite, a slow release of AMT from the methoxy-modified kaolinite was achieved. These results show that the methoxy-modification is a facile method to make the interlayer space of kaolinite available for hosting other guest molecules. The methoxy-modified kaolinite is a promising candidate for high-capacity loading and controlled-release of other molecules such as drugs, agrochemicals, and biochemicals. PMID:25747124
Methoxy-modified kaolinite as a novel carrier for high-capacity loading and controlled-release of the herbicide amitrole

NASA Astrophysics Data System (ADS)

Tan, Daoyong; Yuan, Peng; Annabi-Bergaya, Faïza; Liu, Dong; He, Hongping

2015-03-01

Methoxy-modified kaolinite was used as a novel carrier for loading and release of the herbicide 3-amino-1,2,4-triazole, known as amitrole (abbreviated here as AMT). The methoxy modification made the interlayer space of the kaolinite available for AMT intercalation. The AMT loading content in methoxy-modified kaolinite reached up to 20.8 mass% (twice the loading content by unmodified kaolinite). About 48% of this amount is located in the interlayer space. The release profiles of the AMT fit with the modified Korsmeyer-Peppas model. Due to the diffusional restriction of the intercalated AMT by the lamellar structure of the kaolinite and the strong electrostatic attraction between the intercalated AMT and the kaolinite, a slow release of AMT from the methoxy-modified kaolinite was achieved. These results show that the methoxy-modification is a facile method to make the interlayer space of kaolinite available for hosting other guest molecules. The methoxy-modified kaolinite is a promising candidate for high-capacity loading and controlled-release of other molecules such as drugs, agrochemicals, and biochemicals.

Controlling interlayer interactions in vanadium pentoxide-poly(ethylene oxide) nanocomposites for enhanced magnesium-ion charge transport and storage

NASA Astrophysics Data System (ADS)

Perera, Sanjaya D.; Archer, Randall B.; Damin, Craig A.; Mendoza-Cruz, Rubén; Rhodes, Christopher P.

2017-03-01

Rechargeable magnesium batteries provide the potential for lower cost and improved safety compared with lithium-ion batteries, however obtaining cathode materials with highly reversible Mg-ion capacities is hindered by the high polarizability of divalent Mg-ions and slow solid-state Mg-ion diffusion. We report that incorporating poly(ethylene oxide) (PEO) between the layers of hydrated vanadium pentoxide (V2O5) xerogels results in significantly improved reversible Mg-ion capacities. X-ray diffraction and high resolution transmission electron microscopy show that the interlayer spacing between V2O5 layers was increased by PEO incorporation. Vibrational spectroscopy supports that the polymer interacts with the V2O5 lattice. The V2O5-PEO nanocomposite exhibited a 5-fold enhancement in Mg-ion capacity, improved stability, and improved rate capabilities compared with V2O5 xerogels. The Mg-ion diffusion coefficient of the nanocomposite was increased compared with that of V2O5 xerogels which is attributed to enhanced Mg-ion mobility due to the shielding interaction of PEO with the V2O5 lattice. This study shows that beyond only interlayer spacing, the nature of interlayer interactions of Mg-ions with V2O5, PEO, and H2O are key factors that affect Mg-ion charge transport and storage in layered materials. The design of layered materials with controlled interlayer interactions provides a new approach to develop improved cathodes for magnesium batteries.
Structural characterization of cup-stacked-type nanofibers with an entirely hollow core

NASA Astrophysics Data System (ADS)

Endo, M.; Kim, Y. A.; Hayashi, T.; Fukai, Y.; Oshida, K.; Terrones, M.; Yanagisawa, T.; Higaki, S.; Dresselhaus, M. S.

2002-02-01

Straight long carbon nanofibers with a large hollow core obtained by a floating reactant method show a stacking morphology of truncated conical graphene layers, which in turn exhibit a large portion of open edges on the outer surface and also in the inner channels. Through a judicious choice of oxidation conditions, nanofibers with increased active edge sites are obtained without disrupting the fiber's morphology. A graphitization process induces a morphological change from a tubular type to a reversing saw-toothed type and the formation of loops along the inner channel of the nanofibers, accompanied by a decrease in interlayer spacing.
Inter-layer potential for hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Leven, Itai; Azuri, Ido; Kronik, Leeor; Hod, Oded

2014-03-01

A new interlayer force-field for layered hexagonal boron nitride (h-BN) based structures is presented. The force-field contains three terms representing the interlayer attraction due to dispersive interactions, repulsion due to anisotropic overlaps of electron clouds, and monopolar electrostatic interactions. With appropriate parameterization, the potential is able to simultaneously capture well the binding and lateral sliding energies of planar h-BN based dimer systems as well as the interlayer telescoping and rotation of double walled boron-nitride nanotubes of different crystallographic orientations. The new potential thus allows for the accurate and efficient modeling and simulation of large-scale h-BN based layered structures.
Variation of preserving organic matter bound in interlayer of montmorillonite induced by microbial metabolic process.

PubMed

Zhao, Yulian; Dong, Faqin; Dai, Qunwei; Li, Gang; Ma, Jie

2017-07-25

This paper aimed to investigate the variation of preserving organic matter bound in the interlayer space of montmorillonite (Mt) induced by a microbe metabolic process. We selected Bacillus pumilus as the common soil native bacteria. The alteration of d 001 value, functional group, and C,N organic matter contents caused by bacteria were analyzed by XRD, FTIR, and elementary analyzer, respectively. XRD results showed that the d 001 value of montmorillonite increased with the concentration decreasing and decreased with the culture time increasing after interacting with bacteria indicating the interlayer space of montmorillonite was connected with the organic matter. The findings of long-term interaction by resetting culture conditions implied that the montmorillonite buffered the organic matter when the nutrition was enough and released again when the nutrition was lacking. The results of the elementary analyzer declared the content of organic matter was according to the d 001 value of montmorillonite and N organic matter which played a major impact. FTIR results confirmed that the Si-O stretching vibrations of Mt were affected by the functional group of organic matter. Our results showed that the montmorillonite under the influence of soil bacteria has a strong buffering capacity for preserving organic matter into the interlayer space in a short-term. It might provide critical implications for understanding the evolution process and the preservation of fertilization which was in the over-fertilization or less-fertilization conditions on farmland.
Covalent modification and exfoliation of graphene oxide using ferrocene

NASA Astrophysics Data System (ADS)

Avinash, M. B.; Subrahmanyam, K. S.; Sundarayya, Y.; Govindaraju, T.

2010-09-01

Large scale preparation of single-layer graphene and graphene oxide is of great importance due to their potential applications. We report a simple room temperature method for the exfoliation of graphene oxide using covalent modification of graphene oxide with ferrocene to obtain single-layer graphene oxide sheets. The samples were characterized by FESEM, HRTEM, AFM, EDAX, FT-IR, Raman and Mössbauer spectroscopic studies. HRTEM micrograph of the covalently modified graphene oxide showed increased interlayer spacing of ~2.4 nm due to ferrocene intercalation. The presence of single-layer graphene oxide sheets were confirmed by AFM studies. The covalently modified ferrocene-graphene oxide composite showed interesting magnetic behavior.Large scale preparation of single-layer graphene and graphene oxide is of great importance due to their potential applications. We report a simple room temperature method for the exfoliation of graphene oxide using covalent modification of graphene oxide with ferrocene to obtain single-layer graphene oxide sheets. The samples were characterized by FESEM, HRTEM, AFM, EDAX, FT-IR, Raman and Mössbauer spectroscopic studies. HRTEM micrograph of the covalently modified graphene oxide showed increased interlayer spacing of ~2.4 nm due to ferrocene intercalation. The presence of single-layer graphene oxide sheets were confirmed by AFM studies. The covalently modified ferrocene-graphene oxide composite showed interesting magnetic behavior. Electronic supplementary information (ESI) available: Magnetic data; AFM images; TEM micrographs; and Mössbauer spectroscopic data. See DOI: 10.1039/c0nr00024h
The thickness design of unintentionally doped GaN interlayer matched with background doping level for InGaN-based laser diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, P.; Zhao, D. G., E-mail: dgzhao@red.semi.ac.cn; Jiang, D. S.

2016-03-15

In order to reduce the internal optical loss of InGaN laser diodes, an unintentionally doped GaN (u-GaN) interlayer is inserted between InGaN/GaN multiple quantum well active region and Al{sub 0.2}Ga{sub 0.8}N electron blocking layer. The thickness design of u-GaN interlayer matching up with background doping level for improving laser performance is studied. It is found that a suitably chosen u-GaN interlayer can well modulate the optical absorption loss and optical confinement factor. However, if the value of background doping concentration of u-GaN interlayer is too large, the output light power may decrease. The analysis of energy band diagram of amore » LD structure with 100 nm u-GaN interlayer shows that the width of n-side depletion region decreases when the background concentration increases, and may become even too small to cover whole MQW, resulting in a serious decrease of the output light power. It means that a suitable interlayer thickness design matching with the background doping level of u-GaN interlayer is significant for InGaN-based laser diodes.« less
Interlayer Exciton Optoelectronics in a 2D Heterostructure p-n Junction.

PubMed

Ross, Jason S; Rivera, Pasqual; Schaibley, John; Lee-Wong, Eric; Yu, Hongyi; Taniguchi, Takashi; Watanabe, Kenji; Yan, Jiaqiang; Mandrus, David; Cobden, David; Yao, Wang; Xu, Xiaodong

2017-02-08

Semiconductor heterostructures are backbones for solid-state-based optoelectronic devices. Recent advances in assembly techniques for van der Waals heterostructures have enabled the band engineering of semiconductor heterojunctions for atomically thin optoelectronic devices. In two-dimensional heterostructures with type II band alignment, interlayer excitons, where Coulomb bound electrons and holes are confined to opposite layers, have shown promising properties for novel excitonic devices, including a large binding energy, micron-scale in-plane drift-diffusion, and a long population and valley polarization lifetime. Here, we demonstrate interlayer exciton optoelectronics based on electrostatically defined lateral p-n junctions in a MoSe 2 -WSe 2 heterobilayer. Applying a forward bias enables the first observation of electroluminescence from interlayer excitons. At zero bias, the p-n junction functions as a highly sensitive photodetector, where the wavelength-dependent photocurrent measurement allows the direct observation of resonant optical excitation of the interlayer exciton. The resulting photocurrent amplitude from the interlayer exciton is about 200 times smaller than the resonant excitation of intralayer exciton. This implies that the interlayer exciton oscillator strength is 2 orders of magnitude smaller than that of the intralayer exciton due to the spatial separation of electron and hole to the opposite layers. These results lay the foundation for exploiting the interlayer exciton in future 2D heterostructure optoelectronic devices.
Interfacial Characteristics of Efficient Bulk Heterojunction Solar Cells Fabricated on MoOx Anode Interlayers.

PubMed

Jasieniak, Jacek J; Treat, Neil D; McNeill, Christopher R; de Villers, Bertrand J Tremolet; Della Gaspera, Enrico; Chabinyc, Michael L

2016-05-01

The role of the interface between an MoOx anode interlayer and a polymer:fullerene bulk heterojunction is investigated. Processing differences in the MoOx induce large variations in the vertical stratification of the bulk heterojunction films. These variations are found to be inconsistent in predicting device performance, with a much better gauge being the quantity of polymer chemisorbed to the anode interlayer. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Tuning the Spin-Alignment of Interstitial Electrons in Two-Dimensional Y2C Electride via Chemical Pressure.

PubMed

Park, Jongho; Hwang, Jae-Yeol; Lee, Kyu Hyoung; Kim, Seong-Gon; Lee, Kimoon; Kim, Sung Wng

2017-12-06

We report that the spin-alignment of interstitial anionic electrons (IAEs) in two-dimensional (2D) interlayer spacing can be tuned by chemical pressure that controls the magnetic properties of 2D electrides. It was clarified from the isovalent Sc substitution on the Y site in the 2D Y 2 C electride that the localization degree of IAEs at the interlayer becomes stronger as the unit cell volume and c-axis lattice parameter were systematically reduced by increasing the Sc contents, thus eventually enhancing superparamagnetic behavior originated from the increase in ferromagnetic particle concentration. It was also found that the spin-aligned localized IAEs dominated the electrical conduction of heavily Sc-substituted Y 2 C electride. These results indicate that the physcial properties of 2D electrides can be tailored by adjusting the localization of IAEs at interlayer spacing via structural modification that controls the spin instability as found in three-dimensional elemental electrides of pressurized potassium metals.
Helium isotope enrichment by resonant tunneling through nanoporous graphene bilayers.

PubMed

Mandrà, Salvatore; Schrier, Joshua; Ceotto, Michele

2014-08-21

Graphene is impermeable to gases, but introducing subnanometer pores can allow for selective gas separation. Because graphene is only one atom thick, tunneling can play an important role, especially for low-mass gases such as helium, and this has been proposed as a means of separating (3)He from (4)He. In this paper, we consider the possibility of utilizing resonant tunneling of helium isotopes through nanoporous graphene bilayers. Using a model potential fit to previously reported DFT potential energy surfaces, we calculate the thermal rate constant as a function of interlayer separation using a recently described time-independent method for arbitrary multibarrier potentials. Resonant transmission allows for the total flux rate of (3)He to remain the same as the best-known single-barrier pores but doubles the selectivity with respect to (4)He when the optimal interlayer spacing of 4.6 Å is used. The high flux rate and selectivity are robust against variations of the interlayer spacing and asymmetries in the potential that may occur in experiment.
Herbicide-Intercalated Zinc Layered Hydroxide Nanohybrid for a Dual-Guest Controlled Release Formulation

PubMed Central

Hussein, Mohd Zobir; Rahman, Nor Shazlirah Shazlyn Abdul; Sarijo, Siti H.; Zainal, Zulkarnain

2012-01-01

Herbicides, namely 4-(2,4-dichlorophenoxy) butyrate (DPBA) and 2-(3-chlorophenoxy) propionate (CPPA), were intercalated simultaneously into the interlayers of zinc layered hydroxide (ZLH) by direct reaction of zinc oxide with both anions under aqueous environment to form a new nanohybrid containing both herbicides labeled as ZCDX. Successful intercalation of both anions simultaneously into the interlayer gallery space of ZLH was studied by PXRD, with basal spacing of 28.7 Å and supported by FTIR, TGA/DTG and UV-visible studies. Simultaneous release of both CPPA and DPBA anions into the release media was found to be governed by a pseudo second-order equation. The loading and percentage release of the DPBA is higher than the CPPA anion, which indicates that the DPBA anion was preferentially intercalated into and released from the ZLH interlayer galleries. This work shows that layered single metal hydroxide, particularly ZLH, is a suitable host for the controlled release formulation of two herbicides simultaneously. PMID:22837696
Pillared Structure Design of MXene with Ultralarge Interlayer Spacing for High-Performance Lithium-Ion Capacitors.

PubMed

Luo, Jianmin; Zhang, Wenkui; Yuan, Huadong; Jin, Chengbin; Zhang, Liyuan; Huang, Hui; Liang, Chu; Xia, Yang; Zhang, Jun; Gan, Yongping; Tao, Xinyong

2017-03-28

Two-dimensional transition-metal carbide materials (termed MXene) have attracted huge attention in the field of electrochemical energy storage due to their excellent electrical conductivity, high volumetric capacity, etc. Herein, with inspiration from the interesting structure of pillared interlayered clays, we attempt to fabricate pillared Ti 3 C 2 MXene (CTAB-Sn(IV)@Ti 3 C 2 ) via a facile liquid-phase cetyltrimethylammonium bromide (CTAB) prepillaring and Sn 4+ pillaring method. The interlayer spacing of Ti 3 C 2 MXene can be controlled according to the size of the intercalated prepillaring agent (cationic surfactant) and can reach 2.708 nm with 177% increase compared with the original spacing of 0.977 nm, which is currently the maximum value according to our knowledge. Because of the pillar effect, the assembled LIC exhibits a superior energy density of 239.50 Wh kg -1 based on the weight of CTAB-Sn(IV)@Ti 3 C 2 even under higher power density of 10.8 kW kg -1 . When CTAB-Sn(IV)@Ti 3 C 2 anode couples with commercial AC cathode, LIC reveals higher energy density and power density compared with conventional MXene materials.
Controlled release of agrochemicals intercalated into montmorillonite interlayer space.

PubMed

Wanyika, Harrison

2014-01-01

Periodic application of agrochemicals has led to high cost of production and serious environmental pollution. In this study, the ability of montmorillonite (MMT) clay to act as a controlled release carrier for model agrochemical molecules has been investigated. Urea was loaded into MMT by a simple immersion technique while loading of metalaxyl was achieved by a rotary evaporation method. The successful incorporation of the agrochemicals into the interlayer space of MMT was confirmed by several techniques, such as, significant expansion of the interlayer space, reduction of Barrett-Joyner-Halenda (BJH) pore volumes and Brunauer-Emmett-Teller (BET) surface areas, and appearance of urea and metalaxyl characteristic bands on the Fourier-transform infrared spectra of the urea loaded montmorillonite (UMMT) and metalaxyl loaded montmorillonite (RMMT) complexes. Controlled release of the trapped molecules from the matrix was done in water and in the soil. The results reveal slow and sustained release behaviour for UMMT for a period of 10 days in soil. For a period of 30 days, MMT delayed the release of metalaxyl in soil by more than 6 times. It is evident that MMT could be used to improve the efficiency of urea and metalaxyl delivery in the soil.
Controlled Release of Agrochemicals Intercalated into Montmorillonite Interlayer Space

PubMed Central

2014-01-01

Periodic application of agrochemicals has led to high cost of production and serious environmental pollution. In this study, the ability of montmorillonite (MMT) clay to act as a controlled release carrier for model agrochemical molecules has been investigated. Urea was loaded into MMT by a simple immersion technique while loading of metalaxyl was achieved by a rotary evaporation method. The successful incorporation of the agrochemicals into the interlayer space of MMT was confirmed by several techniques, such as, significant expansion of the interlayer space, reduction of Barrett-Joyner-Halenda (BJH) pore volumes and Brunauer-Emmett-Teller (BET) surface areas, and appearance of urea and metalaxyl characteristic bands on the Fourier-transform infrared spectra of the urea loaded montmorillonite (UMMT) and metalaxyl loaded montmorillonite (RMMT) complexes. Controlled release of the trapped molecules from the matrix was done in water and in the soil. The results reveal slow and sustained release behaviour for UMMT for a period of 10 days in soil. For a period of 30 days, MMT delayed the release of metalaxyl in soil by more than 6 times. It is evident that MMT could be used to improve the efficiency of urea and metalaxyl delivery in the soil. PMID:24696655
Observation of interlayer excitons in MoSe2 single crystals

NASA Astrophysics Data System (ADS)

Horng, Jason; Stroucken, Tineke; Zhang, Long; Paik, Eunice Y.; Deng, Hui; Koch, Stephan W.

2018-06-01

Interlayer excitons with direct optical transitions are observed coexisting with intralayer excitons in the same K valleys in bilayer, few-layer, and bulk MoSe2 single crystals by confocal reflection contrast spectroscopy. Quantitative analysis using the Dirac-Bloch equations provides unambiguous state assignment of all the measured resonances. The interlayer excitons in bilayer MoSe2 have a large binding energy of 153 meV and a narrow linewidth of 20 meV. Their spectral weight is comparable to the commonly studied higher-order intralayer excitons. At the same time, the interlayer excitons are characterized by distinct transition energies and permanent dipole moments, providing a promising high temperature and optically accessible platform for dipolar exciton physics.
Electrical Tuning of Interlayer Exciton Gases in WSe2 Bilayers.

PubMed

Wang, Zefang; Chiu, Yi-Hsin; Honz, Kevin; Mak, Kin Fai; Shan, Jie

2018-01-10

van der Waals heterostructures formed by stacking two-dimensional atomic crystals are a unique platform for exploring new phenomena and functionalities. Interlayer excitons, bound states of spatially separated electron-hole pairs in van der Waals heterostructures, have demonstrated potential for rich valley physics and optoelectronics applications and been proposed to facilitate high-temperature superfluidity. Here, we demonstrate highly tunable interlayer excitons by an out-of-plane electric field in homobilayers of transition metal dichalcogenides. Continuous tuning of the exciton dipole from negative to positive orientation has been achieved, which is not possible in heterobilayers due to the presence of large built-in interfacial electric fields. A large linear field-induced redshift up to ∼100 meV has been observed in the exciton resonance energy. The Stark effect is accompanied by an enhancement of the exciton recombination lifetime by more than two orders of magnitude to >20 ns. The long recombination lifetime has allowed the creation of an interlayer exciton gas with density as large as 1.2 × 10 11 cm -2 by moderate continuous-wave optical pumping. Our results have paved the way for the realization of degenerate exciton gases in atomically thin semiconductors.
Molecular Modeling of the Binding Structures in the Interlayer Adsorption of a Tetracycline Antibiotic by Smectite Clays

NASA Astrophysics Data System (ADS)

Aristilde, L.

2009-12-01

A controlling factor in the fate of antibiotics in the environment is their sequestration in soil particles including clay minerals. Of special interest is the interlayer adsorption by smectite clays, which has been shown to influence both the bioavailability and persistence of antibiotics in the soil environment. However, the interlayer structures of the bound antibiotics, essential to an accurate understanding of the adsorption mechanisms, are not well understood. Molecular simulations of oxytetracycline (OTC) with a model montmorillonite (MONT) clay were performed to gain insights into these structures for tetracycline antibiotics. Monte Carlo simulations were used for explorations of the clay layer spacing required for the adsorption of the antibiotic under different hydration states of the clay interlayer; these preliminary results were validated with previous X-ray diffraction patterns obtained following sorption experiments of OTC with MONT. Molecular dynamics relaxation simulations were performed subsequently in order to obtain geometry-optimized structures of the binding conformations of the intercalated antibiotic in the model MONT layers. This study contributes to a mechanistic understanding of the factors controlling the interlayer adsorption of the tetracycline antibiotics by the expandable smectite clay minerals. Figure 1. Optimized Monte Carlo simulation cell of OTC in the interlayer of MONT: perspective side view (top) and bottom view (bottom).
Surface and interlayer base-characters in lepidocrocite titanate: The adsorption and intercalation of fatty acid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maluangnont, Tosapol, E-mail: tosapol.ma@kmitl.ac.th; Catalytic Chemistry Research Unit, Faculty of Science, King Mongkut's Institute of Technology Ladkrabang, Bangkok 10520; Arsa, Pornanan

2016-06-15

While layered double hydroxides (LDHs) with positively-charged sheets are well known as basic materials, layered metal oxides having negatively-charged sheets are not generally recognized so. In this article, the surface and interlayer base-characters of O{sup 2−} sites in layered metal oxides have been demonstrated, taking lepidocrocite titanate K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} as an example. The low basicity (0.04 mmol CO{sub 2}/g) and low desorption temperature (50–300 °C) shown by CO{sub 2}− TPD suggests that O{sup 2−} sites at the external surfaces is weakly basic, while those at the interlayer space are mostly inaccessible to CO{sub 2}. The liquid-phase adsorptionmore » study, however, revealed the uptake as much as 37% by mass of the bulky palmitic acid (C{sub 16} acid). The accompanying expansion of the interlayer space by ~0.1 nm was detected by PXRD and TEM. In an opposite manner to the external surfaces, the interlayer O{sup 2−} sites can deprotonate palmitic acid, forming the salt (i.e., potassium palmitate) occluded between the sheets. Two types of basic sites are proposed based on ultrafast {sup 1}H MAS NMR and FTIR results. The interlayer basic sites in lepidocrocite titanate leads to an application of this material as a selective and stable two-dimensional (2D) basic catalyst, as demonstrated by the ketonization of palmitic acid into palmitone (C{sub 31} ketone). Tuning of the catalytic activity by varying the type of metal (Zn, Mg, and Li) substituting at Ti{sup IV} sites was also illustrated. - Graphical abstract: Interlayer basic sites in lepidocrocite titanate, K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4}, lead to an intercalation of palmitic acid with a layer expansion. Display Omitted - Highlights: • K{sub 0.8}Zn{sub 0.4}Ti{sub 1.6}O{sub 4} intercalates palmitic acid, forming the occluded potassium salt. • The interlayer expansion is evidenced by PXRD patterns and TEM image. • Two types of basic sites are deduced from ultrafast {sup 1}H MAS NMR. • Lepidocrocite titanate catalyses ketonization of palmitic acid to palmitone and corresponding cracked products.« less
Breakdown of water super-permeation in electrically insulating graphene oxide films: role of dual interlayer spacing.

PubMed

Kavitha, Maheshwari Kavirajan; Sakorikar, Tushar; Vayalamkuzhi, Pramitha; Jaiswal, Manu

2018-08-10

Conventional graphene oxide (GO) is characterized by low sp 2 content in a sp 3 rich matrix, which is responsible both for electrical insulation and water super-permeation. Upon reduction, electrical conduction is achieved at the expense of water permeation ability. Here, we demonstrate that charge conduction and water permeation can be simultaneously restricted in a functionalized form of GO. Gravimetric studies reveal that diffusion of water vapor through a glassy polymer membrane is arrested by loading a hydrophobic form of GO (H-GO) in the polymer matrix, even as such, water inhibition cannot be realized by substantially increasing the thickness of the bare polymer. As an application, the ability of the coating to impede the degradation of methyl ammonium lead iodide films under high humidity conditions is demonstrated. At the same time the H-GO film has a resistance over 10 7 times higher when compared to thermally reduced GO of similar sp 2 fraction. We attribute this unique behavior to the presence of a sub-micron matrix of GO with simultaneous presence of large (∼9.5 Å) and small (∼4.7 Å) interlayer spacing. This leads to disruption of the spatially distributed percolation pathways for electrical charge, and it also serves to block the nanocapillary networks for water molecules.
Molecular dynamics simulations reveal that water diffusion between graphene oxide layers is slow

DOE PAGES

Devanathan, Ram; Chase-Woods, Dylan; Shin, Yongsoon; ...

2016-07-08

Membranes made of stacked layers of graphene oxide (GO) hold the tantalizing promise of revolutionizing desalination and water filtration if selective transport of molecules can be controlled. We present the findings of a molecular dynamics simulation study of water intercalated between GO layers that have a C/O ratio of 4. We simulated a range of hydration levels from 1 wt.% to 23.3 wt.% water. The interlayer spacing increased upon hydration from 0.8 nm to 1.1 nm. We also synthesized GO membranes that showed an increase in spacing from about 0.7 nm to 0.8 nm and an increase in mass ofmore » about 14% on hydration. Water diffusion through GO layers is an order of magnitude slower than that in bulk water, because of strong hydrogen bonded interactions. Most of the water molecules are bound to OH groups even at the highest hydration level. We observed large water clusters that could span graphitic regions, oxidized regions and holes that have been experimentally observed in GO. As a result, slow interlayer diffusion can be consistent with experimentally observed water transport in GO if holes lead to a shorter path length than previously assumed and sorption serves as a key rate-limiting step.« less

Observation of van Hove Singularities in Twisted Silicene Multilayers.

PubMed

Li, Zhi; Zhuang, Jincheng; Chen, Lan; Ni, Zhenyi; Liu, Chen; Wang, Li; Xu, Xun; Wang, Jiaou; Pi, Xiaodong; Wang, Xiaolin; Du, Yi; Wu, Kehui; Dou, Shi Xue

2016-08-24

Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter's butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp(2) and sp(3) hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material.
Temperature dependence of interlayer coupling in perpendicular magnetic tunnel junctions with GdOx barriers

DOE PAGES

Newhouse-Illige, T.; Xu, Y. H.; Liu, Y. H.; ...

2018-02-13

Perpendicular magnetic tunnel junctions with GdO X tunneling barriers have shown a unique voltage controllable interlayer magnetic coupling effect. Here we investigate the quality of the GdO X barrier and the coupling mechanism in these junctions by examining the temperature dependence of the tunneling magnetoresistance and the interlayer coupling from room temperature down to 11 K. The barrier is shown to be of good quality with the spin independent conductance only contributing a small portion, 14%, to the total room temperature conductance, similar to AlO X and MgO barriers. The interlayer coupling, however, shows an anomalously strong temperature dependence includingmore » sign changes below 80 K. This non-trivial temperature dependence is not described by previous models of interlayer coupling and may be due to the large induced magnetic moment of the Gd ions in the barrier.« less
Magnetron sputtered zinc oxide nanorods as thickness-insensitive cathode interlayer for perovskite planar-heterojunction solar cells.

PubMed

Liang, Lusheng; Huang, Zhifeng; Cai, Longhua; Chen, Weizhong; Wang, Baozeng; Chen, Kaiwu; Bai, Hua; Tian, Qingyong; Fan, Bin

2014-12-10

Suitable electrode interfacial layers are essential to the high performance of perovskite planar heterojunction solar cells. In this letter, we report magnetron sputtered zinc oxide (ZnO) film as the cathode interlayer for methylammonium lead iodide (CH3NH3PbI3) perovskite solar cell. Scanning electron microscopy and X-ray diffraction analysis demonstrate that the sputtered ZnO films consist of c-axis aligned nanorods. The solar cells based on this ZnO cathode interlayer showed high short circuit current and power conversion efficiency. Besides, the performance of the device is insensitive to the thickness of ZnO cathode interlayer. Considering the high reliability and maturity of sputtering technique both in lab and industry, we believe that the sputtered ZnO films are promising cathode interlayers for perovskite solar cells, especially in large-scale production.
Temperature dependence of interlayer coupling in perpendicular magnetic tunnel junctions with GdOx barriers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Newhouse-Illige, T.; Xu, Y. H.; Liu, Y. H.

Perpendicular magnetic tunnel junctions with GdO X tunneling barriers have shown a unique voltage controllable interlayer magnetic coupling effect. Here we investigate the quality of the GdO X barrier and the coupling mechanism in these junctions by examining the temperature dependence of the tunneling magnetoresistance and the interlayer coupling from room temperature down to 11 K. The barrier is shown to be of good quality with the spin independent conductance only contributing a small portion, 14%, to the total room temperature conductance, similar to AlO X and MgO barriers. The interlayer coupling, however, shows an anomalously strong temperature dependence includingmore » sign changes below 80 K. This non-trivial temperature dependence is not described by previous models of interlayer coupling and may be due to the large induced magnetic moment of the Gd ions in the barrier.« less
Effect of particle size on the experimental dissolution and auto-aluminization processes of K-vermiculite

NASA Astrophysics Data System (ADS)

Viennet, Jean-Christophe; Hubert, Fabien; Tertre, Emmanuel; Ferrage, Eric; Robin, Valentin; Dzene, Liva; Cochet, Carine; Turpault, Marie-Pierre

2016-05-01

In acidic soils, the fixation of Al in the interlayer spaces of 2:1 clay minerals and the subsequent formation of hydroxyl interlayer minerals (HIMs) are known to reduce soil fertility. The resulting crystal structure of HIMs consist of complex mixed-layer minerals (MLMs) with contrasting relative proportions of expandable, hydroxy-interlayers (HI) and illite layers. The present study aims to experimentally assess the influence of particle size on the formation of such complex HIMs for vermiculite saturated with potassium (K). Based on chemical and structural data, this study reports the dissolution and Al-interlayer occupancy of three size fractions (0.1-0.2, 1-2 and 10-20 μm) of K-vermiculite, which were obtained at pH = 3 by using stirred flow-through reactors. The Al-interlayer occupancies were ordered 0.1-0.2 μm < 10-20 μm < 1-2 μm even though the dissolution rate (in molvermiculite g-1 s-1) increases with decreasing particle size. For fine particles (0.1-0.2 μm), a rapid but low Al-interlayer occupancy during the transitory state and a null rate in the steady-state were evidenced and interpreted as indicating (i) a rapid but limited K+ interlayer exchange during the first step of the overall reactions and (ii) a stoichiometric dissolution of the crystal (TOT layer + interlayer) in the steady-state. By contrast, although the stoichiometric dissolution of the TOT layer is reached in the steady-state for the coarsest fractions (10-20 and 1-2 μm), the Al-interlayer occupancies continue to evolve due to the exchange of interlayer K+, which continues to progress for a longer duration. The mechanism of auto-aluminization is interpreted in the present study as multiple processes that involve (i) the dissolution of the mineral under acidic conditions, (ii) the interlayer diffusion of initial interlayer cations and their exchange with those from the aqueous phase and (iii) the fixation of interlayer aluminum. Competition between the kinetics of ion-exchange reactions and that of mineral dissolution is responsible for the above Al-interlayer occupancy order among the particle sizes (i.e., 0.1-0.2 μm < 10-20 μm < 1-2 μm). Moreover, this mechanism may be the cause of complex mineralogical structures such as mixed-layer minerals, which are commonly found in the clay-size fraction of acidic soils.
Interlayer exciton optoelectronics in a 2D heterostructure p–n junction

DOE PAGES

Ross, Jason S.; Rivera, Pasqual; Schaibley, John; ...

2016-12-22

Semiconductor heterostructures are backbones for solid-state-based optoelectronic devices. Recent advances in assembly techniques for van der Waals heterostructures have enabled the band engineering of semiconductor heterojunctions for atomically thin optoelectronic devices. In two-dimensional heterostructures with type II band alignment, interlayer excitons, where Coulomb bound electrons and holes are confined to opposite layers, have shown promising properties for novel excitonic devices, including a large binding energy, micron-scale in-plane drift-diffusion, and a long population and valley polarization lifetime. Here, we demonstrate interlayer exciton optoelectronics based on electrostatically defined lateral p–n junctions in a MoSe 2–WSe 2 heterobilayer. Applying a forward bias enablesmore » the first observation of electroluminescence from interlayer excitons. At zero bias, the p–n junction functions as a highly sensitive photodetector, where the wavelength-dependent photocurrent measurement allows the direct observation of resonant optical excitation of the interlayer exciton. The resulting photocurrent amplitude from the interlayer exciton is about 200 times smaller than the resonant excitation of intralayer exciton. This implies that the interlayer exciton oscillator strength is 2 orders of magnitude smaller than that of the intralayer exciton due to the spatial separation of electron and hole to the opposite layers. Lastly, these results lay the foundation for exploiting the interlayer exciton in future 2D heterostructure optoelectronic devices.« less
Frictional Magneto-Coulomb Drag in Graphene Double-Layer Heterostructures.

PubMed

Liu, Xiaomeng; Wang, Lei; Fong, Kin Chung; Gao, Yuanda; Maher, Patrick; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Dean, Cory; Kim, Philip

2017-08-04

Coulomb interaction between two closely spaced parallel layers of conductors can generate the frictional drag effect by interlayer Coulomb scattering. Employing graphene double layers separated by few-layer hexagonal boron nitride, we investigate density tunable magneto- and Hall drag under strong magnetic fields. The observed large magnetodrag and Hall-drag signals can be related with Laudau level filling status of the drive and drag layers. We find that the sign and magnitude of the drag resistivity tensor can be quantitatively correlated to the variation of magnetoresistivity tensors in the drive and drag layers, confirming a theoretical formula for magnetodrag in the quantum Hall regime. The observed weak temperature dependence and ∼B^{2} dependence of the magnetodrag are qualitatively explained by Coulomb scattering phase-space argument.
Control of interlayer physics in 2H transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Wang, Kuang-Chung; Stanev, Teodor K.; Valencia, Daniel; Charles, James; Henning, Alex; Sangwan, Vinod K.; Lahiri, Aritra; Mejia, Daniel; Sarangapani, Prasad; Povolotskyi, Michael; Afzalian, Aryan; Maassen, Jesse; Klimeck, Gerhard; Hersam, Mark C.; Lauhon, Lincoln J.; Stern, Nathaniel P.; Kubis, Tillmann

2017-12-01

It is assessed in detail both experimentally and theoretically how the interlayer coupling of transition metal dichalcogenides controls the electronic properties of the respective devices. Gated transition metal dichalcogenide structures show electrons and holes to either localize in individual monolayers, or delocalize beyond multiple layers—depending on the balance between spin-orbit interaction and interlayer hopping. This balance depends on the layer thickness, momentum space symmetry points, and applied gate fields. The design range of this balance, the effective Fermi levels, and all relevant effective masses is analyzed in great detail. A good quantitative agreement of predictions and measurements of the quantum confined Stark effect in gated MoS2 systems unveils intralayer excitons as the major source for the observed photoluminescence.
CO 2 Sorption to Subsingle Hydration Layer Montmorillonite Clay Studied by Excess Sorption and Neutron Diffraction Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rother, Gernot; Ilton, Eugene S.; Wallacher, Dirk

2013-01-02

Geologic storage of CO 2 requires that the caprock sealing the storage rock is highly impermeable to CO 2. Swelling clays, which are important components of caprocks, may interact with CO 2 leading to volume change and potentially impacting the seal quality. The interactions of supercritical (sc) CO 2 with Na saturated montmorillonite clay containing a subsingle layer of water in the interlayer region have been studied by sorption and neutron diffraction techniques. The excess sorption isotherms show maxima at bulk CO2 densities of ≈0.15 g/cm 3, followed by an approximately linear decrease of excess sorption to zero and negativemore » values with increasing CO 2 bulk density. Neutron diffraction experiments on the same clay sample measured interlayer spacing and composition. The results show that limited amounts of CO 2 are sorbed into the interlayer region, leading to depression of the interlayer peak intensity and an increase of the d(001) spacing by ca. 0.5 Å. The density of CO 2 in the clay pores is relatively stable over a wide range of CO 2 pressures at a given temperature, indicating the formation of a clay-CO 2 phase. Finally, at the excess sorption maximum, increasing CO 2 sorption with decreasing temperature is observed while the high-pressure sorption properties exhibit weak temperature dependence.« less
Barrier height enhancement of metal/semiconductor contact by an enzyme biofilm interlayer

NASA Astrophysics Data System (ADS)

Ocak, Yusuf Selim; Gul Guven, Reyhan; Tombak, Ahmet; Kilicoglu, Tahsin; Guven, Kemal; Dogru, Mehmet

2013-06-01

A metal/interlayer/semiconductor (Al/enzyme/p-Si) MIS device was fabricated using α-amylase enzyme as a thin biofilm interlayer. It was observed that the device showed an excellent rectifying behavior and the barrier height value of 0.78 eV for Al/α-amylase/p-Si was meaningfully larger than the one of 0.58 eV for conventional Al/p-Si metal/semiconductor (MS) contact. Enhancement of the interfacial potential barrier of Al/p-Si MS diode was realized using enzyme interlayer by influencing the space charge region of Si semiconductor. The electrical properties of the structure were executed by the help of current-voltage and capacitance-voltage measurements. The photovoltaic properties of the structure were executed under a solar simulator with AM1.5 global filter between 40 and 100 mW/cm2 illumination conditions. It was also reported that the α-amylase enzyme produced from Bacillus licheniformis had a 3.65 eV band gap value obtained from optical method.
Theory of optical absorption by interlayer excitons in transition metal dichalcogenide heterobilayers

NASA Astrophysics Data System (ADS)

Wu, Fengcheng; Lovorn, Timothy; MacDonald, A. H.

2018-01-01

We present a theory of optical absorption by interlayer excitons in a heterobilayer formed from transition metal dichalcogenides. The theory accounts for the presence of small relative rotations that produce a momentum shift between electron and hole bands located in different layers, and a moiré pattern in real space. Because of the momentum shift, the optically active interlayer excitons are located at the moiré Brillouin zone's corners, instead of at its center, and would have elliptical optical selection rules if the individual layers were translationally invariant. We show that the exciton moiré potential energy restores circular optical selection rules by coupling excitons with different center of mass momenta. A variety of interlayer excitons with both senses of circular optical activity, and energies that are tunable by twist angle, are present at each valley. The lowest energy exciton states are generally localized near the exciton potential energy minima. We discuss the possibility of using the moiré pattern to achieve scalable two-dimensional arrays of nearly identical quantum dots.
Moiré-pattern interlayer potentials in van der Waals materials in the random-phase approximation

NASA Astrophysics Data System (ADS)

Leconte, Nicolas; Jung, Jeil; Lebègue, Sébastien; Gould, Tim

2017-11-01

Stacking-dependent interlayer interactions are important for understanding the structural and electronic properties in incommensurable two-dimensional material assemblies where long-range moiré patterns arise due to small lattice constant mismatch or twist angles. Here we study the stacking-dependent interlayer coupling energies between graphene (G) and hexagonal boron nitride (BN) homo- and heterostructures using high-level random-phase approximation (RPA) ab initio calculations. Our results show that although total binding energies within LDA and RPA differ substantially by a factor of 200%-400%, the energy differences as a function of stacking configuration yield nearly constant values with variations smaller than 20%, meaning that LDA estimates are quite reliable. We produce phenomenological fits to these energy differences, which allows us to calculate various properties of interest including interlayer spacing, sliding energetics, pressure gradients, and elastic coefficients to high accuracy. The importance of long-range interactions (captured by RPA but not LDA) on various properties is also discussed. Parametrizations for all fits are provided.
Preparation, physicochemical characterisation and magnetic properties of Cu-Al layered double hydroxides with CO 32- and anionic surfactants with different alkyl chains in the interlayer

NASA Astrophysics Data System (ADS)

Trujillano, Raquel; Holgado, María Jesús; Pigazo, Fernando; Rives, Vicente

2006-03-01

Layered double hydroxides with the hydrotalcite-like structure, containing Cu(II) and Al(III) in the layers, and different alkyl sulphonates in the interlayer, have been prepared and characterised by powder X-ray diffraction, FT-IR spectroscopy, differential thermal analysis and thermogravimetric analysis. Their magnetic properties have been also studied. Except for the sample containing octadecanesulphonate in the interlayer, for which an excess of sulphonate exists, pure crystalline phases have been obtained in the other cases. Upon heating, combustion of the organic chain takes place at lower temperature than for the corresponding sodium salts. A two-dimensional antiferromagnetic behaviour is observed at 200 K in all samples containing intercalated sulphonate. The χT value is lower for the samples containing interlayer sulphonates (with layer-layer distances in the 21-31 Å range), than for a carbonate-containing analogue (basal spacing 7.51 Å).
Mechanisms associated with the high adsorption of dibenzo-p-dioxin from water by smectite clays.

PubMed

Liu, Cun; Li, Hui; Teppen, Brian J; Johnston, Cliff T; Boyd, Stephen A

2009-04-15

Clay minerals may be an important unrecognized sorptive phase for dioxins in soils and clay deposits. Smectites, especially Cs-saponite, effectively adsorbed dibenzo-p-dioxin (DD) from water, reaching 0.8% (wt/wt). Adsorption was promoted by exchangeable cations with low hydration energies, and negative charge in the smectite arising from the tetrahedral siloxane sheets. X-ray diffraction measurements revealed that as DD loading increased to > or =8000 mg/kg the clay basal spacing increased abruptly from 12.3 to 15.2 A demonstrating DD intercalation. The 12.3 A spacing provides an interlayer distance that closely matches the molecular thickness of DD. In this configuration DD is essentially dehydrated as it interacts with the opposing hydrophobic siloxane sheets and with coplanar Cs+ via one of the dioxin ring oxygens. Ab initio calculations suggest that geometrical structures form at higher loadings in which intercalated DD molecules adopt a butterfly geometry sandwiched between dehydrated interlayer Cs+ and the siloxane surface, consistent with the 15.2 A spacing, wherein Cs+ interacts with dioxin ring oxygens and benzene ring pi-electrons. Fourier transformation infrared measurements confirm that adsorbed DD is present in orientations that are not parallel with the interlayer planar siloxane surfaces of smectite.
Observation of van Hove Singularities in Twisted Silicene Multilayers

PubMed Central

2016-01-01

Interlayer interactions perturb the electronic structure of two-dimensional materials and lead to new physical phenomena, such as van Hove singularities and Hofstadter’s butterfly pattern. Silicene, the recently discovered two-dimensional form of silicon, is quite unique, in that silicon atoms adopt competing sp2 and sp3 hybridization states leading to a low-buckled structure promising relatively strong interlayer interaction. In multilayer silicene, the stacking order provides an important yet rarely explored degree of freedom for tuning its electronic structures through manipulating interlayer coupling. Here, we report the emergence of van Hove singularities in the multilayer silicene created by an interlayer rotation. We demonstrate that even a large-angle rotation (>20°) between stacked silicene layers can generate a Moiré pattern and van Hove singularities due to the strong interlayer coupling in multilayer silicene. Our study suggests an intriguing method for expanding the tunability of the electronic structure for electronic applications in this two-dimensional material. PMID:27610412
Toward Increasing Micropore Volume between Hybrid Layered Perovskites with Silsesquioxane Interlayers.

PubMed

Kataoka, Sho; Kamimura, Yoshihiro; Endo, Akira

2018-04-10

Hybrid organic-inorganic layered perovskites are typically nonporous solids. However, the incorporation of silsesquioxanes with a cubic cage structure as interlayer materials creates micropores between the perovskite layers. In this study, we increase in the micropore volume in layered perovskites by replacing a portion of the silsesquioxane interlayers with organic amines. In the proposed method, approximately 20% of the silsesquioxane interlayers can be replaced without changing the layer distance owing to the size of the silsesquioxane. When small amines (e.g., ethylamine) are used in this manner, the micropore volume of the obtained hybrid layered perovskites increases by as much as 44%; when large amines (e.g., phenethylamine) are used, their micropore volume decreases by as much as 43%. Through the variation of amine fraction, the micropore volume can be adjusted in the range. Finally, the magnetic moment measurements reveal that the layered perovskites with mixed interlayers exhibit ferromagnetic ordering at temperature below 20 K, thus indicating that the obtained perovskites maintain their functions as layered perovskites.
Self-assembled Ti3C2Tx/SCNT composite electrode with improved electrochemical performance for supercapacitor.

PubMed

Fu, Qishan; Wang, Xinyu; Zhang, Na; Wen, Jing; Li, Lu; Gao, Hong; Zhang, Xitian

2018-02-01

Two-dimensional titanium carbide has gained considerable attention in recent years as an electrode material for supercapacitors due to its high melting point, good electrical conductivity, hydrophilicity and large electrochemically active surfaces. However, the irreversible restacking during synthesis restricts its development and practical applications. Here, Ti 3 C 2 T x /SCNT self-assembled composite electrodes were rationally designed and successfully synthesized by introducing single-walled carbon nanotubes (SCNTs) as interlayer spacers to decrease the restacking of the Ti 3 C 2 T x sheets during the synthesis process. SCNTs can not only increase the specific surface area as well as the interlayer space of the Ti 3 C 2 T x electrode, but also increase the accessible capability of electrolyte ions, and thus it improved the electrochemical performance of the electrode. The as-prepared Ti 3 C 2 T x /SCNT self-assembled composite electrode achieved a high areal capacitance of 220mF/cm 2 (314F/cm 3 ) and a remarkable capacitance retention of 95% after 10,000cycles. Copyright © 2017 Elsevier Inc. All rights reserved.
Strong Interlayer Magnon-Magnon Coupling in Magnetic Metal-Insulator Hybrid Nanostructures.

PubMed

Chen, Jilei; Liu, Chuanpu; Liu, Tao; Xiao, Yang; Xia, Ke; Bauer, Gerrit E W; Wu, Mingzhong; Yu, Haiming

2018-05-25

We observe strong interlayer magnon-magnon coupling in an on-chip nanomagnonic device at room temperature. Ferromagnetic nanowire arrays are integrated on a 20-nm-thick yttrium iron garnet (YIG) thin film strip. Large anticrossing gaps up to 1.58 GHz are observed between the ferromagnetic resonance of the nanowires and the in-plane standing spin waves of the YIG film. Control experiments and simulations reveal that both the interlayer exchange coupling and the dynamical dipolar coupling contribute to the observed anticrossings. The coupling strength is tunable by the magnetic configuration, allowing the coherent control of magnonic devices.
Strong Interlayer Magnon-Magnon Coupling in Magnetic Metal-Insulator Hybrid Nanostructures

NASA Astrophysics Data System (ADS)

Chen, Jilei; Liu, Chuanpu; Liu, Tao; Xiao, Yang; Xia, Ke; Bauer, Gerrit E. W.; Wu, Mingzhong; Yu, Haiming

2018-05-01

We observe strong interlayer magnon-magnon coupling in an on-chip nanomagnonic device at room temperature. Ferromagnetic nanowire arrays are integrated on a 20-nm-thick yttrium iron garnet (YIG) thin film strip. Large anticrossing gaps up to 1.58 GHz are observed between the ferromagnetic resonance of the nanowires and the in-plane standing spin waves of the YIG film. Control experiments and simulations reveal that both the interlayer exchange coupling and the dynamical dipolar coupling contribute to the observed anticrossings. The coupling strength is tunable by the magnetic configuration, allowing the coherent control of magnonic devices.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Tianqi; Beidaghi, Majid; Xiao, Xu

Orthorhombic molybdenum trioxide (α-MoO 3) is a layered oxide with promising performance as electrode material for Li-ion capacitors. In this study, we show that expansion of the interlayer spacing (by ~0.32 Å) of the structure along the b-axis, introduced by partial reduction of α-MoO 3 and formation of MoO 3-x (x=0.06–0.43), results in enhanced diffusion of Li ions. Binder-free hybrid electrodes made of MoO 3-x nanobelts and carbon nanotubes show excellent electrical conductivity. The combination of increased interlayer spacing and enhanced electron transport leads to high gravimetric and volumetric capacitances of about 420 F/g or F/cm 3 and excellent cyclemore » life of binder-free MoO 3-x electrodes.« less

A structural coarse-grained model for clays using simple iterative Boltzmann inversion

NASA Astrophysics Data System (ADS)

Schaettle, Karl; Ruiz Pestana, Luis; Head-Gordon, Teresa; Lammers, Laura Nielsen

2018-06-01

Cesium-137 is a major byproduct of nuclear energy generation and is environmentally threatening due to its long half-life and affinity for naturally occurring micaceous clays. Recent experimental observations of illite and phlogopite mica indicate that Cs+ is capable of exchanging with K+ bound in the anhydrous interlayers of layered silicates, forming sharp exchange fronts, leading to interstratification of Cs- and K-illite. We present here a coarse-grained (CG) model of the anhydrous illite interlayer developed using iterative Boltzmann inversion that qualitatively and quantitatively reproduces features of a previously proposed feedback mechanism of ion exchange. The CG model represents a 70-fold speedup over all-atom models of clay systems and predicts interlayer expansion for K-illite near ion exchange fronts. Contrary to the longstanding theory that ion exchange in a neighboring layer increases the binding of K in lattice counterion sites leading to interstratification, we find that the presence of neighboring exchanged layers leads to short-range structural relaxations that increase basal spacing and decrease cohesion of the neighboring K-illite layers. We also provide evidence that the formation of alternating Cs- and K-illite interlayers (i.e., ordered interstratification) is both thermodynamically and mechanically favorable compared to exchange in adjacent interlayers.
Inelastic neutron scattering and molecular simulation of the dynamics of interlayer water in smectite clay minerals

DOE PAGES

Cygan, Randall T.; Daemen, Luke L.; Ilgen, Anastasia G.; ...

2015-11-16

The study of mineral–water interfaces is of great importance to a variety of applications including oil and gas extraction, gas subsurface storage, environmental contaminant treatment, and nuclear waste repositories. Understanding the fundamentals of that interface is key to the success of those applications. Confinement of water in the interlayer of smectite clay minerals provides a unique environment to examine the interactions among water molecules, interlayer cations, and clay mineral surfaces. Smectite minerals are characterized by a relatively low layer charge that allows the clay to swell with increasing water content. Montmorillonite and beidellite varieties of smectite were investigated to comparemore » the impact of the location of layer charge on the interlayer structure and dynamics. Inelastic neutron scattering of hydrated and dehydrated cation-exchanged smectites was used to probe the dynamics of the interlayer water (200–900 cm –1 spectral region) and identify the shift in the librational edge as a function of the interlayer cation. Molecular dynamics simulations of equivalent phases and power spectra, derived from the resulting molecular trajectories, indicate a general shift in the librational behavior with interlayer cation that is generally consistent with the neutron scattering results for the monolayer hydrates. Both neutron scattering and power spectra exhibit librational structures affected by the location of layer charge and by the charge of the interlayer cation. Furthermore, divalent cations (Ba 2+ and Mg 2+) characterized by large hydration enthalpies typically exhibit multiple broad librational peaks compared to monovalent cations (Cs + and Na +), which have relatively small hydration enthalpies.« less
Grain size engineering for ferroelectric Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films by an insertion of Al{sub 2}O{sub 3} interlayer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Han Joon; Park, Min Hyuk; Kim, Yu Jin

2014-11-10

The degradation of ferroelectric (FE) properties of atomic layer deposited Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films with increasing thickness was mitigated by inserting 1 nm-thick Al{sub 2}O{sub 3} interlayer at middle position of the thickness of the FE film. The large P{sub r} of 10 μC/cm{sup 2}, which is 11 times larger than that of single layer Hf{sub 0.5}Zr{sub 0.5}O{sub 2} film with equivalent thickness, was achieved from the films as thick as 40 nm. The Al{sub 2}O{sub 3} interlayer could interrupt the continual growth of Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films, and the resulting decrease of grain size prevented the formation of non-ferroelectricmore » monoclinic phase. The Al{sub 2}O{sub 3} interlayer also largely decreased the leakage current of the Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films.« less
Characterization and Applications of Kaolinite Robustly Grafted by an Ionic Liquid with Naphthyl Functionality

PubMed Central

Detellier, Christian

2017-01-01

Functionalization of the kaolinite (K) interlayer space is challenging. In this work, a new kaolinite-based nanohybridmaterial (K-NI) was successfully synthesized by grafting on the interlayer aluminol surfaces the ionic liquid, 1-(1-methylnaphthyl)-3-(2-hydroxyethyl) imidazolium chloride (NI), using a guest displacement strategy. A substantial increase of the basal spacing (10.8 Å) was obtained. This is a grafted derivative of kaolinite possessing one of the largest d-values. Washing in water for several days and other vigorous treatments such as sonication showed a minor effect on the integrity of the material. FTIR and 13C NMR confirmed the conservation of the structure of the ionic liquid after the grafting. Thermal analysis confirmed the presence of grafted material and was used to estimate the abundance of the grafted ionic liquid (0.44 mole per mole of kaolinite structural formula, (Al2Si2O5(OH)4)). By using cyclic voltammetry, the permeability of a film of K-NI for the bulky ferricyanide ions was demonstrated. The accumulation of nitrophenolate anions was effective (maximum capacity of 190 μmol/g), but was less important than what was expected due to the steric hindrance of the bulky grafted NI. Although the presence of chloride anions reduced the adsorption capacity, the affinity of the modified kaolinite interlayer space for the nitrophenolate anions was demonstrated. PMID:28850087
Characterization and Applications of Kaolinite Robustly Grafted by an Ionic Liquid with Naphthyl Functionality.

PubMed

Kenne Dedzo, Gustave; Detellier, Christian

2017-08-29

Functionalization of the kaolinite (K) interlayer space is challenging. In this work, a new kaolinite-based nanohybridmaterial (K-NI) was successfully synthesized by grafting on the interlayer aluminol surfaces the ionic liquid, 1-(1-methylnaphthyl)-3-(2-hydroxyethyl) imidazolium chloride (NI), using a guest displacement strategy. A substantial increase of the basal spacing (10.8 Å) was obtained. This is a grafted derivative of kaolinite possessing one of the largest d -values. Washing in water for several days and other vigorous treatments such as sonication showed a minor effect on the integrity of the material. FTIR and 13 C NMR confirmed the conservation of the structure of the ionic liquid after the grafting. Thermal analysis confirmed the presence of grafted material and was used to estimate the abundance of the grafted ionic liquid (0.44 mole per mole of kaolinite structural formula, (Al₂Si₂O₅(OH)₄)). By using cyclic voltammetry, the permeability of a film of K-NI for the bulky ferricyanide ions was demonstrated. The accumulation of nitrophenolate anions was effective (maximum capacity of 190 μmol/g), but was less important than what was expected due to the steric hindrance of the bulky grafted NI. Although the presence of chloride anions reduced the adsorption capacity, the affinity of the modified kaolinite interlayer space for the nitrophenolate anions was demonstrated.
New Lithium- and Diamine-Intercalated Superconductors Lix(CnH2n+4N2)yMoSe2 (n = 2,6)

NASA Astrophysics Data System (ADS)

Sato, Kazuki; Noji, Takashi; Hatakeda, Takehiro; Kawamata, Takayuki; Kato, Masatsune; Koike, Yoji

2018-05-01

We have succeeded in synthesizing new intercalation superconductors Lix(C2H8N2)yMoSe2 and Lix(C6H16N2)yMoSe2 with Tc = 4.2 and 3.8-6.0 K, respectively, via the co-intercalation of lithium and ethylenediamine or hexamethylenediamine into semiconducting 2H-MoSe2. It has been found that the Tc values are related not to the interlayer spacing between MoSe2 layers so much but to the electronic density of states (EDOS) at the Fermi level. Moreover, only Li-intercalated LixMoSe2 with a small interlayer spacing has been found to be non-superconducting. Accordingly, it has been concluded that not only a sufficient amount of EDOS at the Fermi level due to the charge transfer from intercalated Li to MoSe2 layers but also the enhancement of the two-dimensionality of the crystal structure and/or electronic structure due to the expansion of the interlayer spacing between MoSe2 layers is necessary for the appearance of superconductivity in MoSe2-based intercalation superconductors. The pairing mechanism and the analogy to the superconductivity in the electric double-layer transistors of 2H-MoX2 (X = S, Se, Te) are discussed.
Theory of optical absorption by interlayer excitons in transition metal dichalcogenide heterobilayers

DOE PAGES

Wu, Fengcheng; Lovorn, Timothy; MacDonald, A. H.

2018-01-22

In this paper, we present a theory of optical absorption by interlayer excitons in a heterobilayer formed from transition metal dichalcogenides. The theory accounts for the presence of small relative rotations that produce a momentum shift between electron and hole bands located in different layers, and a moire pattern in real space. Because of the momentum shift, the optically active interlayer excitons are located at the moire Brillouin zone's corners, instead of at its center, and would have elliptical optical selection rules if the individual layers were translationally invariant. We show that the exciton moire potential energy restores circular opticalmore » selection rules by coupling excitons with different center of mass momenta. A variety of interlayer excitons with both senses of circular optical activity, and energies that are tunable by twist angle, are present at each valley. The lowest energy exciton states are generally localized near the exciton potential energy minima. Finally, we discuss the possibility of using the moire pattern to achieve scalable two-dimensional arrays of nearly identical quantum dots.« less
Microstructural and electrical properties of Al/n-type Si Schottky diodes with Au-CuPc nanocomposite films as interlayer

NASA Astrophysics Data System (ADS)

Reddy, P. R. Sekhar; Janardhanam, V.; Jyothi, I.; Chang, Han-Soo; Lee, Sung-Nam; Lee, Myung Sun; Reddy, V. Rajagopal; Choi, Chel-Jong

2017-11-01

Au-CuPc nanocomposite films were prepared by simultaneous evaporation of Au and CuPc with various Au and CuPc concentrations. Microstructural analysis of Au-CuPc films revealed elongated Au cluster formation from isolated Au nanoclusters with increasing Au concentration associated with coalescence of Au clusters. Au-CuPc films with different compositions were employed as interlayer in Al/n-Si Schottky diode. Barrier height and series resistance of the Al/n-Si Schottky diode with Au-CuPc interlayer decreased with increasing Au concentration. This could be associated with the enhancement of electron tunneling between neighboring clusters due to decrease in spacing of Au clusters and formation of conducting paths through the composite material. Interface state density of the Al/n-Si Schottky diode with Au-CuPc interlayer increased with increasing Au concentration. This might be because the inclusion of metal decreases the crystallinity and crystal size of the polymer matrix accompanied by the formation of local defect sites at the places of metal nucleation.
Effect of Layer Charge on CO2 and H2O Intercalations in Swelling Clays.

PubMed

Rao, Qi; Leng, Yongsheng

2016-11-08

The effect of layer charge on the intercalation of supercritical carbon dioxide (scCO 2 )-H 2 O mixture in Na-montmorillonite clay interlayers under T = 323 K and P = 90 bar geologic sequestration conditions has been further investigated. This effect includes the charge amount and its location (within either octahedral or tetrahedral layers due to isomorphic substitutions). Two clay models with different layer charges are used in this study. Simulation results show that the increase of charge amount shifts the monolayer-to-bilayer (1W-to-2W) hydration transition toward the lower relative humidity (RH), increasing water sorption at the expense of reducing the overall sorption amount of CO 2 in the clay interlayer. However, the combination of the influence of charge amount and charge location leads to insignificant changes in equilibrium basal spacings of the high- and low-charge clays. Molecular dynamics simulations show that the CO 2 dimers, which are frequently seen in low-charge clay interlayers, vanish in high-charge clay interlayers even at low RH of 30%.
Theory of optical absorption by interlayer excitons in transition metal dichalcogenide heterobilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Fengcheng; Lovorn, Timothy; MacDonald, A. H.

In this paper, we present a theory of optical absorption by interlayer excitons in a heterobilayer formed from transition metal dichalcogenides. The theory accounts for the presence of small relative rotations that produce a momentum shift between electron and hole bands located in different layers, and a moire pattern in real space. Because of the momentum shift, the optically active interlayer excitons are located at the moire Brillouin zone's corners, instead of at its center, and would have elliptical optical selection rules if the individual layers were translationally invariant. We show that the exciton moire potential energy restores circular opticalmore » selection rules by coupling excitons with different center of mass momenta. A variety of interlayer excitons with both senses of circular optical activity, and energies that are tunable by twist angle, are present at each valley. The lowest energy exciton states are generally localized near the exciton potential energy minima. Finally, we discuss the possibility of using the moire pattern to achieve scalable two-dimensional arrays of nearly identical quantum dots.« less
TEM Analysis of Diffusion-Bonded Silicon Carbide Ceramics Joined Using Metallic Interlayers

NASA Technical Reports Server (NTRS)

Ozaki, T.; Tsuda, H.; Halbig, M. C.; Singh, M.; Hasegawa, Y; Mori, S.; Asthana, R.

2017-01-01

Silicon Carbide (SiC) is a promising material for thermostructural applications due to its excellent high-temperature mechanical properties, oxidation resistance, and thermal stability. However, joining and integration technologies are indispensable for this material in order to fabricate large size and complex shape components with desired functionalities. Although diffusion bonding techniques using metallic interlayers have been commonly utilized to bond various SiC ceramics, detailed microstructural observation by Transmission Electron Microscopy (TEM) of the bonded area has not been carried out due to difficulty in preparing TEM samples. In this study, we tried to prepare TEM samples from joints of diffusion bonded SiC ceramics by Focused Ion Beam (FIB) system and carefully investigated the interfacial microstructure by TEM analysis. The samples used in this study were SiC fiber bonded ceramics (SA-Tyrannohex: SA-THX) diffusion bonded with metallic interlayers such as Ti, TiMo, Mo-B and TiCu. In this presentation, we report the microstructure of diffusion bonded SA-THX mainly with TiCu interlayers obtained by TEM observations, and the influence of metallic interlayers on the joint microstructure and microhardness will be discussed.
Progress toward thin-film GaAs solar cells using a single-crystal Si substrate with a Ge interlayer

NASA Technical Reports Server (NTRS)

Yeh, Y. C. M.; Wang, K. L.; Zwerdling, S.

1982-01-01

Development of a technology for fabricating light-weight, high-efficiency, radiation-resistant solar cells for space applications is reported. The approaches currently adopted are to fabricate shallow homojunction n(+)/p as well as p/n AlGaAs-heteroface GaAs solar cells by organometallic chemical vapor deposition (OM-CVD) on single-crystal Si substrates using in each case, a thin Ge epi-interlayer first grown by CVD. This approach maintains the advantages of the low specific gravity of Si as well as the high efficiency and radiation-resistant properties of the GaAs solar cell which can lead to greatly improved specific power for a solar array. The growth of single-crystal GaAs epilayers on Ge epi-interlayers on Si substrates is investigated. Related solar cell fabrication is reviewed.
Single-layered graphene oxide nanosheet/polyaniline hybrids fabricated through direct molecular exfoliation.

PubMed

Chen, Guan-Liang; Shau, Shi-Min; Juang, Tzong-Yuan; Lee, Rong-Ho; Chen, Chih-Ping; Suen, Shing-Yi; Jeng, Ru-Jong

2011-12-06

In this study, we used direct molecular exfoliation for the rapid, facile, large-scale fabrication of single-layered graphene oxide nanosheets (GOSs). Using macromolecular polyaniline (PANI) as a layered space enlarger, we readily and rapidly synthesized individual GOSs at room temperature through the in situ polymerization of aniline on the 2D GOS platform. The chemically modified GOS platelets formed unique 2D-layered GOS/PANI hybrids, with the PANI nanorods embedded between the GO interlayers and extended over the GO surface. X-ray diffraction revealed that intergallery expansion occurred in the GO basal spacing after the PANI nanorods had anchored and grown onto the surface of the GO layer. Transparent folding GOSs were, therefore, observed in transmission electron microscopy images. GOS/PANI nanohybrids possessing high conductivities and large work functions have the potential for application as electrode materials in optoelectronic devices. Our dispersion/exfoliation methodology is a facile means of preparing individual GOS platelets with high throughput, potentially expanding the applicability of nanographene oxide materials. © 2011 American Chemical Society
Frustration and correlations in stacked triangular-lattice Ising antiferromagnets

NASA Astrophysics Data System (ADS)

Burnell, F. J.; Chalker, J. T.

2015-12-01

We study multilayer triangular-lattice Ising antiferromagnets with interlayer interactions that are weak and frustrated in an abc stacking. By analyzing a coupled height model description of these systems, we show that they exhibit a classical spin liquid regime at low temperature, in which both intralayer and interlayer correlations are strong but there is no long-range order. Diffuse scattering in this regime is concentrated on a helix in reciprocal space, as observed for charge ordering in the materials LuFe2O4 and YbFe2O4 .
Water transport and desalination through double-layer graphyne membranes.

PubMed

Akhavan, Mojdeh; Schofield, Jeremy; Jalili, Seifollah

2018-05-16

Non-equilibrium molecular dynamics simulations of water-salt solutions driven through single and double-layer graphyne membranes by a pressure difference created by rigid pistons are carried out to determine the relative performance of the membranes as filters in a reverse osmosis desalination process. It is found that the flow rate of water through a graphyne-4 membrane is twice that of a graphyne-3 membrane for both single and double-layer membranes. Although the addition of a second layer to a single-layer membrane reduces the membrane permeability, the double-layer graphyne membranes are still two or three orders of magnitude more permeable than commercial reverse osmosis membranes. The minimum reduction in flow rate for double-layer membranes occurs at a layer spacing of 0.35 nm with an AA stacking configuration, while at a spacing of 0.6 nm the flow rate is close to zero due to a high free energy barrier for permeation. This is caused by the difference in the environments on either side of the membrane sheets and the formation of a compact two-dimensional layer of water molecules in the interlayer space which slows down water permeation. The distribution of residence times of water molecules in the interlayer region suggests that at the critical layer spacing of 0.6 nm, a cross-over occurs in the mechanism of water flow from the collective movement of hydrogen-bonded water sheets to the permeation of individual water molecules. All membranes are demonstrated to have a high salt rejection fraction and the double-layered graphyne-4 membranes can further increase the salt rejection by trapping ions that have passed through the first membrane from the feed solution in the interlayer space.
Complexation of carboxylate on smectite surfaces.

PubMed

Liu, Xiandong; Lu, Xiancai; Zhang, Yingchun; Zhang, Chi; Wang, Rucheng

2017-07-19

We report a first principles molecular dynamics (FPMD) study of carboxylate complexation on clay surfaces. By taking acetate as a model carboxylate, we investigate its inner-sphere complexes adsorbed on clay edges (including (010) and (110) surfaces) and in interlayer space. Simulations show that acetate forms stable monodentate complexes on edge surfaces and a bidentate complex with Ca 2+ in the interlayer region. The free energy calculations indicate that the complexation on edge surfaces is slightly more stable than in interlayer space. By integrating pK a s and desorption free energies of Al coordinated water calculated previously (X. Liu, X. Lu, E. J. Meijer, R. Wang and H. Zhou, Geochim. Cosmochim. Acta, 2012, 81, 56-68; X. Liu, J. Cheng, M. Sprik, X. Lu and R. Wang, Geochim. Cosmochim. Acta, 2014, 140, 410-417), the pH dependence of acetate complexation has been revealed. It shows that acetate forms inner-sphere complexes on (110) in a very limited mildly acidic pH range while it can complex on (010) in the whole common pH range. The results presented in this study form a physical basis for understanding the geochemical processes involving clay-organics interactions.
Induced nano-scale self-formed metal-oxide interlayer in amorphous silicon tin oxide thin film transistors.

PubMed

Liu, Xianzhe; Xu, Hua; Ning, Honglong; Lu, Kuankuan; Zhang, Hongke; Zhang, Xiaochen; Yao, Rihui; Fang, Zhiqiang; Lu, Xubing; Peng, Junbiao

2018-03-07

Amorphous Silicon-Tin-Oxide thin film transistors (a-STO TFTs) with Mo source/drain electrodes were fabricated. The introduction of a ~8 nm MoO x interlayer between Mo electrodes and a-STO improved the electron injection in a-STO TFT. Mo adjacent to the a-STO semiconductor mainly gets oxygen atoms from the oxygen-rich surface of a-STO film to form MoO x interlayer. The self-formed MoO x interlayer acting as an efficient interface modification layer could conduce to the stepwise internal transport barrier formation while blocking Mo atoms diffuse into a-STO layer, which would contribute to the formation of ohmic contact between Mo and a-STO film. It can effectively improve device performance, reduce cost and save energy for the realization of large-area display with high resolution in future.
Formation of atomically smooth epitaxial metal films on a chemically reactive interface: Mg on Si(111)

NASA Astrophysics Data System (ADS)

Özer, Mustafa M.; Weitering, Hanno H.

2013-07-01

Deposition of Mg on Si(111)7 × 7 produces an epitaxial magnesium silicide layer. Under identical annealing conditions, the thickness of this Mg2Si(111) layer increases with deposition amount, reaching a maximum of 4 monolayer (ML) and decreasing to ˜3 ML at higher Mg coverage. Excess Mg coalesces into atomically flat, crystalline Mg(0001) films. This surprising growth mode can be attributed to the accidental commensurability of the Mg(0001), Si(111), and Mg2Si(111) interlayer spacing and the concurrent minimization of in-plane Si mass transfer and domain-wall energies. The commensurability of the interlayer spacing defines a highly unique solid-phase epitaxial growth process capable of producing trilayer structures with atomically abrupt interfaces and atomically smooth surface morphologies.
Ethanol Reduced Molybdenum Trioxide for Li-ion Capacitors

DOE PAGES

Li, Tianqi; Beidaghi, Majid; Xiao, Xu; ...

2016-05-06

Orthorhombic molybdenum trioxide (α-MoO 3) is a layered oxide with promising performance as electrode material for Li-ion capacitors. In this study, we show that expansion of the interlayer spacing (by ~0.32 Å) of the structure along the b-axis, introduced by partial reduction of α-MoO 3 and formation of MoO 3-x (x=0.06–0.43), results in enhanced diffusion of Li ions. Binder-free hybrid electrodes made of MoO 3-x nanobelts and carbon nanotubes show excellent electrical conductivity. The combination of increased interlayer spacing and enhanced electron transport leads to high gravimetric and volumetric capacitances of about 420 F/g or F/cm 3 and excellent cyclemore » life of binder-free MoO 3-x electrodes.« less
Modification and intercalation of layered zirconium phosphates: a solid-state NMR monitoring.

PubMed

Bakhmutov, Vladimir I; Kan, Yuwei; Sheikh, Javeed Ahmad; González-Villegas, Julissa; Colón, Jorge L; Clearfield, Abraham

2017-07-01

Several layered zirconium phosphates treated with Zr(IV) ions, modified by monomethoxy-polyethyleneglycol-monophosphate and intercalated with doxorubicin hydrochloride have been studied by solid-state MAS NMR techniques. The organic components of the phosphates have been characterized by the 13 C{ 1 H} CP MAS NMR spectra compared with those of initial compounds. The multinuclear NMR monitoring has provided to establish structure and covalent attachment of organic/inorganic moieties to the surface and interlayer spaces of the phosphates. The MAS NMR experiments including kinetics of proton-phosphorus cross polarization have resulted in an unusual structure of zirconium phosphate 6 combining decoration of the phosphate surface by polymer units and their partial intercalation into the interlayer space. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Intercalation of paracetamol into the hydrotalcite-like host

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovanda, Frantisek, E-mail: Frantisek.Kovanda@vscht.cz; Maryskova, Zuzana; Kovar, Petr

2011-12-15

Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 Degree-Sign C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly nearmore » the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals. - Graphical abstract: Molecular simulations showed disordered arrangement of paracetamol molecules in the interlayer; most of the interlayer water molecules are located near the hydroxide sheets. Black-Small-Square Highlights: Black-Right-Pointing-Pointer Paracetamol was intercalated in Mg-Al hydrotalcite-like host by rehydration/reconstruction procedure. Black-Right-Pointing-Pointer Paracetamol phenolic groups interact with positively charged sites in hydroxide sheets. Black-Right-Pointing-Pointer Molecular simulations showed disordered arrangement of guest molecules in the interlayer. Black-Right-Pointing-Pointer Slower release of paracetamol intercalated in the hydrotalcite-like host was observed.« less
The ion dependent change in the mechanism of charge storage of chemically preintercalated bilayered vanadium oxide electrodes

NASA Astrophysics Data System (ADS)

Clites, Mallory; Pomerantseva, Ekaterina

2017-08-01

Chemical pre-intercalation is a soft chemistry synthesis approach that allows for the insertion of inorganic ions into the interlayer space of layered battery electrode materials prior to electrochemical cycling. Previously, we have demonstrated that chemical pre-intercalation of Na+ ions into the structure of bilayered vanadium oxide (δ-V2O5) results in record high initial capacities above 350 mAh g-1 in Na-ion cells. This performance is attributed to the expanded interlayer spacing and predefined diffusion pathways achieved by the insertion of charge-carrying ions. However, the effect of chemical pre-intercalation of δ-V2O5 has not been studied for other ion-based systems beyond sodium. In this work, we report the effect of the chemically preintercalated alkali ion size on the mechanism of charge storage of δ- MxV2O5 (M = Li, Na, K) in Li-ion, Na-ion, and K-ion batteries, respectively. The interlayer spacing of the δ-MxV2O5 varied depending on inserted ion, with 11.1 Å achieved for Li-preintercalated δ-V2O5, 11.4 Å for Na-preintercalated δ- V2O5, and 9.6 Å for K-preintercalated δ-V2O5. Electrochemical performance of each material has been studied in its respective ion-based system (δ-LixV2O5 in Li-ion cells, δ-NaxV2O5 in Na-ion cells, and δ-KxV2O5 in K-ion cells). All materials demonstrated high initial capacities above 200 mAh g-1. However, the mechanism of charge storage differed depending on the charge-carrying ion, with Li-ion cells demonstrating predominantly pseudocapacitive behavior and Naion and K-ion cells demonstrating a significant portion of capacity from diffusion-limited intercalation processes. In this study, the combination of increased ionic radii of the charge-carrying ions and decreased synthesized interlayer spacing of the bilayered vanadium oxide phase correlates to an increase in the portion of capacity attributed diffusion-limited charge-storage processes.
Synthesis and characterization of a new family of alkylammonium–chromium phosphates with worm-like morphology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Amghouz, Zakariae, E-mail: amghouz.uo@uniovi.es; Departamento de Química Orgánica e Inorgánica, Universidad de Oviedo-CINN, 33006 Oviedo; Espina, Aránzazu

A series of layered alkylammonium–chromium phosphates, formulated as [C{sub n}H{sub 2n+1}NH{sub 3}]Cr(OH)PO{sub 4} (n=2–6), has been synthesized under hydrothermal conditions. The interlayer spacing, increasing linearly with the increase of alkyl-chain length from 13.61 Å (n=2) to 21.20 Å (n=6), is occupied by a double sheet of packed amine molecules with a tilt angle of ca. 51° respect to the inorganic sheet. The powders are constituted by circular plates (diameter=0.5–3 µm, thickness=∼50 nm) with central holes when n=4–6, stacked in axial direction showing worm-like morphologies. The presence of holes, and some corrugated and zig-zag fashions observed on the edge of thinmore » circular plates are the most probable ways for the reduction of the steric tensions between organic and inorganic portions in these hybrid materials. The thermal and thermo-oxidative stability of selected compounds have been studied, including the determination of activation energy data for the decomposition processes. - Graphical abstract: A novel series of layered alkylammonium–chromium phosphates, [C{sub n}H{sub 2n+1}NH{sub 3}]Cr(OH)PO{sub 4} (n=2–6), was obtained and characterized. The interlayer spacing, increasing linearly with the increase of alkyl-chain length, is occupied by a double sheet of packed amine molecules. The powders are constituted by circular plates (diameter=0.5–3 µm, thickness=∼50 nm) with central holes when n=4–6, stacked in axial direction showing worm-like morphologies. - Highlights: • A series of alkylammonium–chromium phosphates has been obtained by the hydrothermal method. • The interlayer spacing increases linearly with the increase of alkyl-chain length. • The interlayer spacing is occupied by a double sheet of packed amine molecules. • The powders are constituted by stacked circular plates showing wormlike morphology. • Thermal behaviour depends on the atmosphere used and the intercalated amine.« less
Synthesis and characterization of sodium vanadium oxide gels: the effects of water (n) and sodium (x) content on the electrochemistry of Na(x)V2O5·nH2O.

PubMed

Lee, Chia-Ying; Marschilok, Amy C; Subramanian, Aditya; Takeuchi, Kenneth J; Takeuchi, Esther S

2011-10-28

Sodium vanadium oxide gels, Na(x)V(2)O(5)·nH(2)O, of varying sodium content (0.12 < x < 0.32) were prepared by careful control of an ion exchange process. The water content (0.23 > n > 0.01) and interlayer spacing were found to be inversely proportional to the sodium level (x), thus control of sodium (x) content provided a direct, chimie douce approach for control of hydration level (n) and interlayer spacing, without the need for high temperature treatment to affect dehydration. Notably, the use of high temperatures to modify hydration levels can result in crystallization and collapse of the interlayer structure, highlighting the distinct advantage of our novel chimie douce synthesis strategy. Subsequent to synthesis and characterization, results from an electrochemical study of a series of Na(x)V(2)O(5)·nH(2)O samples highlight the significant impact of interlayer water on delivered capacity of the layered materials. Specifically, the sodium vanadium oxide gels with higher sodium content and lower water content provided higher capacities in lithium based cells, where capacity delivered to 2.0 V under C/20 discharge ranged from 170 mAh/g for Na(0.12)V(2)O(5)·0.23H(2)O to 300 mAh/g for Na(0.32)V(2)O(5)·0.01H(2)O. The capacity differences were maintained as the cells were cycled. This journal is © the Owner Societies 2011
Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials – A general bond polarizability model

PubMed Central

Luo, Xin; Lu, Xin; Cong, Chunxiao; Yu, Ting; Xiong, Qihua; Ying Quek, Su

2015-01-01

2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit different stacking sequences, leading to different physical properties. Here, we show that regardless of the space group of the 2D materials, the Raman frequencies of the interlayer shear modes observed under the typical configuration blue shift for AB stacked materials, and red shift for ABC stacked materials, as the number of layers increases. Our predictions are made using an intuitive bond polarizability model which shows that stacking sequence plays a key role in determining which interlayer shear modes lead to the largest change in polarizability (Raman intensity); the modes with the largest Raman intensity determining the frequency trends. We present direct evidence for these conclusions by studying the Raman modes in few layer graphene, MoS2, MoSe2, WSe2 and Bi2Se3, using both first principles calculations and Raman spectroscopy. This study sheds light on the influence of stacking sequence on the Raman intensities of intrinsic interlayer modes in 2D layered materials in general, and leads to a practical way of identifying the stacking sequence in these materials. PMID:26469313
Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials--A general bond polarizability model.

PubMed

Luo, Xin; Lu, Xin; Cong, Chunxiao; Yu, Ting; Xiong, Qihua; Quek, Su Ying

2015-10-15

2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit different stacking sequences, leading to different physical properties. Here, we show that regardless of the space group of the 2D materials, the Raman frequencies of the interlayer shear modes observed under the typical z(xx)z configuration blue shift for AB stacked materials, and red shift for ABC stacked materials, as the number of layers increases. Our predictions are made using an intuitive bond polarizability model which shows that stacking sequence plays a key role in determining which interlayer shear modes lead to the largest change in polarizability (Raman intensity); the modes with the largest Raman intensity determining the frequency trends. We present direct evidence for these conclusions by studying the Raman modes in few layer graphene, MoS2, MoSe2, WSe2 and Bi2Se3, using both first principles calculations and Raman spectroscopy. This study sheds light on the influence of stacking sequence on the Raman intensities of intrinsic interlayer modes in 2D layered materials in general, and leads to a practical way of identifying the stacking sequence in these materials.
Microstructure and supercapacitive properties of buserite-type manganese oxide with a large basal spacing

NASA Astrophysics Data System (ADS)

Sun, Zhenjie; Shu, Dong; Chen, Hongyu; He, Chun; Tang, Shaoqing; Zhang, Jie

2012-10-01

A hydration-layered structure of buserite-type manganese oxide (Mg-buserite) was successfully synthesized by an ion exchange method. The as-prepared Mg-buserite possesses a large basal spacing of 10 Å, and contains Mg2+ ions and two sheets of water molecules in the interlayer region. The supercapacitive behaviors of Mg-buserite were systematically investigated by cyclic voltammetry (CV), galvanostatic charge-discharge (CD) experiments and electrochemical impedance spectroscopy (EIS). The results showed that the specific capacitance of the Mg-buserite electrode sharply increased during the initial 500 cycles and reached a maximum of 164 F g-1 at approximately the 500th cycle at a scan rate of 1 mV s-1, and then it remained an almost constant value and decreased slightly upon prolonged cycling. After 22,000 cycles, the specific capacitance decreased by approximately 6% of the maximum specific capacitance. The superior capacitive behavior and excellent cycling stability of the as-prepared Mg-buserite are attributed to the large basal spacing, which can accommodate a larger amount of electrolyte cations and provide more favorable pathways for electrolyte cations intercalation and deintercalation. The experimental results demonstrate that Mg-buserite is a promising candidate as an electrode material for supercapacitors.
Intercalation of paracetamol into the hydrotalcite-like host

NASA Astrophysics Data System (ADS)

Kovanda, František; Maryšková, Zuzana; Kovář, Petr

2011-12-01

Hydrotalcite-like compounds are often used as host structures for intercalation of various anionic species. The product intercalated with the nonionic, water-soluble pharmaceuticals paracetamol, N-(4-hydroxyphenyl)acetamide, was prepared by rehydration of the Mg-Al mixed oxide obtained by calcination of hydrotalcite-like precursor at 500 °C. The successful intercalation of paracetamol molecules into the interlayer space was confirmed by powder X-ray diffraction and infrared spectroscopy measurements. Molecular simulations showed that the phenolic hydroxyl groups of paracetamol interact with hydroxide sheets of the host via the hydroxyl groups of the positively charged sites of Al-containing octahedra; the interlayer water molecules are located mostly near the hydroxide sheets. The arrangement of paracetamol molecules in the interlayer is rather disordered and interactions between neighboring molecules cause their tilting towards the hydroxide sheets. Dissolution tests in various media showed slower release of paracetamol intercalated in the hydrotalcite-like host in comparison with tablets containing the powdered pharmaceuticals.
EFFECTS OF TiOx INTERLAYER ON RESISTANCE SWITCHING OF Pt/TiOx/ZnO/n+-Si STRUCTURES

NASA Astrophysics Data System (ADS)

Li, Hongxia; Lv, Xiaojun; Xi, Junhua; Wu, Xin; Mao, Qinan; Liu, Qingmin; Ji, Zhenguo

2014-08-01

In this paper, we fabricated Pt/TiOx/ZnO/n+-Si structures by inserting TiOx interlayer between Pt top electrode (TE) and ZnO thin film for non-volatile resistive random access memory (ReRAM) applications. Effects of TiOx interlayer with different thickness on the resistance switching of Pt/TiOx/ZnO/n+-Si structures were investigated. Conduction behaviors in high and low resistance state (HRS and LRS) fit well with the trap-controlled space-charge-limited conduction (SCLC) and Ohmic behavior, respectively. Variations of set and reset voltages and HRS and LRS resistances of Pt/TiOx/ZnO/n+-Si structures were investigated as a function of TiOx thickness. Switching cycling tests were attempted to evaluate the endurance reliability of Pt/TiOx/ZnO/n+-Si structures. Additionally, the switching mechanism was analyzed by the filament model.
High Temperature Carbonized Grass as a High Performance Sodium Ion Battery Anode.

PubMed

Zhang, Fang; Yao, Yonggang; Wan, Jiayu; Henderson, Doug; Zhang, Xiaogang; Hu, Liangbing

2017-01-11

Hard carbon is currently considered the most promising anode candidate for room temperature sodium ion batteries because of its relatively high capacity, low cost, and good scalability. In this work, switchgrass as a biomass example was carbonized under an ultrahigh temperature, 2050 °C, induced by Joule heating to create hard carbon anodes for sodium ion batteries. Switchgrass derived carbon materials intrinsically inherit its three-dimensional porous hierarchical architecture, with an average interlayer spacing of 0.376 nm. The larger interlayer spacing than that of graphite allows for the significant Na ion storage performance. Compared to the sample carbonized under 1000 °C, switchgrass derived carbon at 2050 °C induced an improved initial Coulombic efficiency. Additionally, excellent rate capability and superior cycling performance are demonstrated for the switchgrass derived carbon due to the unique high temperature treatment.
Electric-field switching of two-dimensional van der Waals magnets

NASA Astrophysics Data System (ADS)

Jiang, Shengwei; Shan, Jie; Mak, Kin Fai

2018-05-01

Controlling magnetism by purely electrical means is a key challenge to better information technology1. A variety of material systems, including ferromagnetic (FM) metals2-4, FM semiconductors5, multiferroics6-8 and magnetoelectric (ME) materials9,10, have been explored for the electric-field control of magnetism. The recent discovery of two-dimensional (2D) van der Waals magnets11,12 has opened a new door for the electrical control of magnetism at the nanometre scale through a van der Waals heterostructure device platform13. Here we demonstrate the control of magnetism in bilayer CrI3, an antiferromagnetic (AFM) semiconductor in its ground state12, by the application of small gate voltages in field-effect devices and the detection of magnetization using magnetic circular dichroism (MCD) microscopy. The applied electric field creates an interlayer potential difference, which results in a large linear ME effect, whose sign depends on the interlayer AFM order. We also achieve a complete and reversible electrical switching between the interlayer AFM and FM states in the vicinity of the interlayer spin-flip transition. The effect originates from the electric-field dependence of the interlayer exchange bias.
Characterization of organo-modified bentonite sorbents: The effect of modification conditions on adsorption performance

NASA Astrophysics Data System (ADS)

Parolo, María E.; Pettinari, Gisela R.; Musso, Telma B.; Sánchez-Izquierdo, María P.; Fernández, Laura G.

2014-11-01

The organic modification of a natural bentonite was evaluated using two methods: exchanging the interlayer cations by hexadecyltrimethylammonium (HDTMA) and grafting with vinyltrimethoxysilane (VTMS) and γ-methacryloyloxy propyl trimethoxysilane (TMSPMA) on montmorillonite surface. The physicochemical characterization of all materials was made by X-ray diffraction (XRD), IR spectroscopy, thermogravimetric analysis (TGA) and Brunauer-Emmett-Teller (BET) surface area techniques. HDTMA cations and organosilanes were intercalated into the interlayer space of montmorillonite, as deduced from the increase of the basal spacing. IR spectroscopy, TGA and BET area give evidence of successful organic modification. The studies show a decrease in the IR absorption band intensity at 3465 cm-1 with surfactant modification, and also a decrease of mass loss due to adsorbed water observed in two samples: the organoclay and functionalized bentonites, which are evidences of a lower interlayer hydrophilicity. The efficiency of aniline removal onto natural bentonite, organobentonite and functionalized bentonites from aqueous solutions was evaluated. Aniline sorption on natural bentonite was studied using batch experiments, XRD and IR spectroscopy. The hydrophobic surface of organobentonite and functionalized bentonites increased the retention capacity for nonionic organic substances such as aniline on bentonites. The sorption properties of modified bentonite, through different modification methods, enhanced the potential industrial applications of bentonites in water decontamination.
Polyacrylamide sorption opportunity on interlayer and external pore surfaces of contaminant barrier clays.

PubMed

Inyang, Hilary I; Bae, Sunyoung

2005-01-01

Physico-chemical interactions among polymer molecules in aqueous solution and clay mineralogical/textural characteristics influence the sorption of polymer molecules on clay barrier minerals. Amendment of potentially unstable barrier clays with aqueous polymers can improve barrier material resistance to environmental stresses during service. In this research, the ability of molecular coils of polyacrylamide (PAM) to overlap in solution and to enter interlayer space in Na-montmorillonite (specific surface=31.82+/-0.22 m2 g(-1)) and kaolinite (specific surface=18+/-2 m2 g(-1)) were analyzed theoretically and experimentally, using solution viscosity measurements, and X-ray diffractometry. Experimental data on two theoretical indices: relative size ratio (RSR); and molecular availability (Ma) that are formulated to scale polymer molecular sorption on clay interlayer, indicate that the sorption of PAM A (Mw=4000000) and PAM B (Mw=7000000) does not produce any significant change in the d-spacing of both clay minerals. Although the negative Ma values of -3.51 g l(-1) for PAM A and -3.88 g l(-1) for PAM B indicate high levels of entanglement of polymer molecular coils in solution, sorption data confirm that the entangled coils are still able to sorb onto Na-montmorillonite highly and kaolinite to a lesser extent.
The Effect of Treatment with Hydrogen Peroxide and the Mehra-Jackson Reagent on X-ray Diffraction Patterns of Clay Fractions

NASA Astrophysics Data System (ADS)

Sokolova, T. A.; Tolpeshta, I. I.; Izosimova, Yu. G.; Umnova, V. A.; Lashukov, P. V.

2017-12-01

X-ray diffraction patterns of clay fractions from the AEL and EL horizons of pale-podzolic soil before and after treatment with 10% H2O2 and the Mehra-Jackson reagent in different sequences have been examined. The successive treatment with 10% H2O2 and then with the Mehra-Jackson reagent causes dissolution of Al-hydroxy-interlayers in pedogenic chlorites and the respective increase in the content of labile minerals because of a dramatic decrease in pH upon the treatment with hydrogen peroxide. The rate of these changes depends on the degree of chloritization of pedogenic chlorites in the initial samples. The result of the reverse sequence of the treatments of clay fractions (initially with the Mehra-Jackson reagent and then with hydrogen peroxide) is opposite: the chloritization of labile minerals becomes more intensive. It is provided by pH values that do not drop below 7.5 at any treatment stage. At particular stages, pH values favors the mobilization of Al compounds and their subsequent polymerization in the interlayer space of labile structures. We suppose that hydroxyl-aluminosilicate layers may be formed in the interlayer space upon this treatment sequence.
Ceramic-metal composite article and joining method

DOEpatents

Kang, Shinhoo; Selverian, John H.; Kim, Hans J.; Dunn, Edmund M.; Kim, Kyung S.

1992-01-01

A ceramic-metal article including a ceramic rod, a metal rod, and a braze joining the ceramic and metal rods at a braze area of a coaxial bore in the metal rod. The bore gradually decreases in diameter, having an inward seat area sized for close sliding fit about the ceramic, a larger brazing area near the joint end, and a void area intermediate the braze and seat areas. The ceramic is seated without brazing in the bore seat area. The side wall between the brazing area and the metal outer surface is about 0.030-0.080 inch. The braze includes an inner braze layer, an outer braze layer, and an interlayer about 0.030-0.090 inch thick. A shoulder between the brazing and void areas supports the interlayer during bonding while preventing bonding between the void area and the ceramic member, leaving a void space between the void area and the ceramic member. A venting orifice extends generally radially through the metal member from the outer surface to the void space. The braze layers are palladium, platinum, gold, silver, copper, nickel, indium, chromium, molybdenum, niobium, iron, aluminum, or alloys thereof. Preferred is a gold-palladium-nickel brazing alloy. The interlayer is nickel, molybdenum, copper, tantalum, tungsten, niobium, aluminum, cobalt, iron, or an alloy thereof.
Ceramic-metal composite article and joining method

DOEpatents

Kang, S.; Selverian, J.H.; Kim, H.J.; Dunn, E.M.; Kim, K.S.

1992-04-28

A ceramic-metal article including a ceramic rod, a metal rod, and a braze joining the ceramic and metal rods at a braze area of a coaxial bore in the metal rod is described. The bore gradually decreases in diameter, having an inward seat area sized for close sliding fit about the ceramic, a larger brazing area near the joint end, and a void area intermediate the braze and seat areas. The ceramic is seated without brazing in the bore seat area. The side wall between the brazing area and the metal outer surface is about 0.030-0.080 inch. The braze includes an inner braze layer, an outer braze layer, and an interlayer about 0.030-0.090 inch thick. A shoulder between the brazing and void areas supports the interlayer during bonding while preventing bonding between the void area and the ceramic member, leaving a void space between the void area and the ceramic member. A venting orifice extends generally radially through the metal member from the outer surface to the void space. The braze layers are palladium, platinum, gold, silver, copper, nickel, indium, chromium, molybdenum, niobium, iron, aluminum, or alloys thereof. Preferred is a gold-palladium-nickel brazing alloy. The interlayer is nickel, molybdenum, copper, tantalum, tungsten, niobium, aluminum, cobalt, iron, or an alloy thereof. 4 figs.
Structure and Dynamics of Confined Water and CO2 in Clays under Supercritical Conditions

NASA Astrophysics Data System (ADS)

Glezakou, V.; Lee, M.; Schaef, T.; Loring, J.; Davidson, C.; McGrail, P.

2013-12-01

Carbon dioxide (CO2) driven enhanced gas recovery (EGR) from depleted fractured shale gas reservoirs has the potential for producing economic benefits and providing long term storage options for anthropogenic derived CO2 emissions. However key scientific processes related to CO2:CH4 exchange rates, mineral volume changes, organic mobility, and mineral stability in the presence of acid gas injections are not well understood. In this paper, we conduct atomistic simulations to examine interactions occurring between model clay minerals and supercritical CO2 equilibrated with water or brines to identify parameters controlling adsorption and desorption of gases. Integrated within these simulations are results derived from a set of newly developed experimental techniques designed to characterize physico-chemical reactions at reservoir conditions. In a series of cell optimizations under pressures relevant to sequestration scenarios, molecular simulations within the NVT and NPT ensembles with varying water/CO2 ratios showed a range of interlayer expansion for specific cation-saturated smectites. In conjunction with experimental in situ high pressure x-ray diffraction (HXRD), semi-quantitative concentrations of interlayer H2O and CO2 were established. For example, Ca saturated smectites maintaining sub-single to single hydration states (<1W to 1W), expand approximately 1.7-2.0 Å when exposed to anhydrous supercritical CO2. In contrast, for single to double hydration states (1W-2W), the simulations indicate formation of a quasi-single, metastable state, leading to a reduced interlayer spacing. Partial dehydration of the interlayer spacing while in contact with CO2 is due to a reduction of the interlayer cation coordination number. Structural analysis of the intercalated species shows an increase in the hydrogen bonding between waters during CO2 intercalation coincident with a decrease in the coordination population around the cations. Power spectra reveal rotationally constrained CO2 molecules over the silica layer of the Ca-smectite surface due to the formation of a two dimensional supercritical CO2 network at lower pressures, expanding to three-dimensions as the water content increases. Diffusion coefficients of the interlayer species determined from the molecular trajectories show dependence on the presence of CO2 and hydration state. In agreement with modeling studies, direct observations of volume changes were observed during in situ HXRD experiments when exposure of a 2W Ca-smectite to supercritical CO2 at 50 °C and 90 bar produced a decrease in the interlayer spacing. In addition to intercalation, surface adsorption and desorption are equally important interactions occurring with clay minerals in the presence of supercritical CO2. Processes related to surface condensation of CO2 were examined through a series of modeling exercises and in situ spectroscopic measurements. Results showed that adsorbed CO2 concentrations were low when no water was adsorbed to the clay, but dramatically increased to a maximum when the clay was at ~1W. With continued water adsorption, CO2 concentrations decreased as the water outcompeted CO2 for adsorption/intercalation sites.
Clay-Bacteria Systems and Biofilm Production

NASA Astrophysics Data System (ADS)

Steiner, J.; Alimova, A.; Katz, A.; Steiner, N.; Rudolph, E.; Gottlieb, P.

2007-12-01

Soil clots and the aerosol transport of bacteria and spores are promoted by the formation of biofilms (bacteria cells in an extracellular polymeric matrix). Biofilms protect microorganisms by promoting adhesion to both organic and inorganic surfaces. Time series experiments on bacteria-clay suspensions demonstrate that biofilm growth is catalyzed by the presence of hectorite in minimal growth media for the studied species: Gram negatives (Pseudomonas syringae and Escherichia coli,) and Gram positives (Staphylococcus aureus and Bacillus subtilis). Soil organisms (P. syringae, B. subtilis) and organisms found in the human population (E. coli, S. aureus) are both used to demonstrate the general applicability of clay involvement. Fluorescent images of the biofilms are acquired by staining with propidium iodide, a component of the BacLightTM Live/Dead bacterial viability staining kit (Molecular Probes, Eugene, OR). The evolving polysaccharide-rich biofilm reacts with the clay interlayer site causing a complex substitution of the two-water hectorite interlayer with polysaccharide. The result is often a three-peak composite of the (001) x-ray diffraction maxima resulting from polysaccharide-expanded clays and an organic-driven contraction of a subset of the clays in the reaction medium. X-ray diffractograms reveal that the expanded set creates a broad maximum with clay subsets at 1.84 nm and 1.41 nm interlayer spacings as approximated by a least squares double Lorentzian fit, and a smaller shoulder at larger 2q, deriving from a contraction of the interlayer spacing. Washing with chlorox removes organic material from the contracted clay and creates a 1-water hectorite single peak in place of the double peak. The clay response can be used as an indirect indicator of biofilm in an environmental system.
Propagation behavior of two transverse surface waves in a three-layer piezoelectric/piezomagnetic structure

NASA Astrophysics Data System (ADS)

Nie, Guoquan; Liu, Jinxi; Liu, Xianglin

2017-10-01

Propagation of transverse surface waves in a three-layer system consisting of a piezoelectric/piezomagnetic (PE/PM) bi-layer bonded on an elastic half-space is theoretically investigated in this paper. Dispersion relations and mode shapes for transverse surface waves are obtained in closed form under electrically open and shorted boundary conditions at the upper surface. Two transverse surface waves related both to Love-type wave and Bleustein-Gulyaev (B-G) type wave propagating in corresponding three-layer structure are discussed through numerically solving the derived dispersion equation. The results show that Love-type wave possesses the property of multiple modes, it can exist all of the values of wavenumber for every selected thickness ratios regardless of the electrical boundary conditions. The presence of PM interlayer makes the phase velocity of Love-type wave decrease. There exist two modes allowing the propagation of B-G type wave under electrically shorted circuit, while only one mode appears in the case of electrically open circuit. The modes of B-G type wave are combinations of partly normal dispersion and partly anomalous dispersion whether the electrically open or shorted. The existence range of mode for electrically open case is greatly related to the thickness ratios, with the thickness of PM interlayer increasing the wavenumber range for existence of B-G type wave quickly shortened. When the thickness ratio is large enough, the wavenumber range of the second mode for electrically shorted circuit is extremely narrow which can be used to remove as an undesired mode. The propagation behaviors and mode shapes of transverse surface waves can be regulated by the modification of the thickness of PM interlayer. The obtained results provide a theoretical prediction and basis for applications of PE-PM composites and acoustic wave devices.
Unconventional Density Wave and Superfluidity in Cold Atom Systems

DTIC Science & Technology

2014-06-01

species can provide more phase space to renormalize minority pairing channel (i.e, q can be anywhere on that FS branch...and intra-species interactions, Ucf/Uff . . . . . . . 43 5.2 (Left) dxy order parameter for f - and c-fermions. (Right) Real- space particle density of...interlayer tunneling tz = 0.1t. Sketched real space configuration for (d) CDWp and (e) CDW± with a π- phase resonance, where the dashed red lines indicate

The Coherent Interlayer Resistance of a Single, Misoriented Interface between Two Graphite Stacks

NASA Astrophysics Data System (ADS)

Lake, Roger K.; Habib, K. M. Masum; Sylvia, Somaia; Ge, Supeng; Neupane, Mahesh

2014-03-01

The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles ranging from 0° to 27 .29° . The quantum-resistance of the ideal AB stack is on the order of 1 to 10 m Ωμm2 depending on the Fermi energy. For small rotation angles <= 7 .34° , the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with primitive cell size for minimum size cells. A change of misorientation angle by one degree can increase the primitive cell size by three orders of magnitude. These large cell sizes may not follow the exponential trend of the minimal cells especially at energies a few hundred meV away from the charge neutrality point. At such energies, their coherent interlayer resistance is likely to coincide with that of a nearby rotation angle with a much smaller primitive cell. The energy dependence of the interlayer transmission is described and analyzed. This work was supported in part by FAME, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA.
Interlayer Coupling and Gate-Tunable Excitons in Transition Metal Dichalcogenide Heterostructures

DOE PAGES

Gao, Shiyuan; Yang, Li; Spataru, Catalin Dan

2017-11-22

Bilayer van der Waals (vdW) heterostructures such as MoS 2/WS 2 and MoSe 2/WSe 2 have attracted much attention recently, particularly because of their type II band alignments and the formation of interlayer exciton as the lowest-energy excitonic state. In this work, we calculate the electronic and optical properties of such heterostructures with the first-principles GW+Bethe–Salpeter Equation (BSE) method and reveal the important role of interlayer coupling in deciding the excited-state properties, including the band alignment and excitonic properties. Our calculation shows that due to the interlayer coupling, the low energy excitons can be widely tuned by a vertical gatemore » field. In particular, the dipole oscillator strength and radiative lifetime of the lowest energy exciton in these bilayer heterostructures is varied by over an order of magnitude within a practical external gate field. We also build a simple model that captures the essential physics behind this tunability and allows the extension of the ab initio results to a large range of electric fields. In conclusion, our work clarifies the physical picture of interlayer excitons in bilayer vdW heterostructures and predicts a wide range of gate-tunable excited-state properties of 2D optoelectronic devices.« less
Clay minerals in primitive meteorites and interplanetary dust 2. Smectites and micas

NASA Technical Reports Server (NTRS)

Keller, L. P.; Zolensky, M. E.

1991-01-01

The classification is briefly summarized of stony meteorites and cosmic dust, and the mineralogy and chemistry is described of serpentine group minerals. The occurrence of smectites and micas in extraterrestrial materials is examined. The characterization of fine grained minerals in meteorites and IDPs relies heavily on electron beam instruments, especially the transmission electron microscope (TEM). Typically, phyllosilicates are identified by a combination of high resolution imaging of basal spacings, electron diffraction, and chemical analysis. Smectites can be difficult to differentiate from micas because the smectites lose their interlayer water and the interlayer partly collapse in the high vacuum of the TEM.
Method of growing GaN films with a low density of structural defects using an interlayer

DOEpatents

Bourret-Courchesne, Edith D.

2003-01-01

A dramatic reduction of the dislocation density in GaN was obtained by insertion of a single thin interlayer grown at an intermediate temperature (IT-IL) after the growth of an initial grown at high temperature. A description of the growth process is presented with characterization results aimed at understanding the mechanisms of reduction in dislocation density. A large percentage of the threading dislocations present in the first GaN epilayer are found to bend near the interlayer and do not propagate into the top layer which grows at higher temperature in a lateral growth mode. TEM studies show that the mechanisms of dislocation reduction are similar to those described for the epitaxial lateral overgrowth process, however a notable difference is the absence of coalescence boundaries.
Ammonia induced precipitation of cobalt hydroxide: observation of turbostratic disorder

NASA Astrophysics Data System (ADS)

Ramesh, T. N.; Rajamathi, Michael; Kamath, P. Vishnu

2003-05-01

Cobalt hydroxide freshly precipitated from aqueous solutions of Co salts using ammonia, is a layered phase having a 9.17 Å interlayer spacing. DIFFaX simulations of the PXRD pattern reveal that it is turbostratically disordered.
Large D-2 theory of superconducting fluctuations in a magnetic field and its application to iron pnictides.

PubMed

Murray, James M; Tesanović, Zlatko

2010-07-16

A Ginzburg-Landau approach to fluctuations of a layered superconductor in a magnetic field is used to show that the interlayer coupling can be incorporated within an interacting self-consistent theory of a single layer, in the limit of a large number of neighboring layers. The theory exhibits two phase transitions-a vortex liquid-to-solid transition is followed by a Bose-Einstein condensation into the Abrikosov lattice-illustrating the essential role of interlayer coupling. By using this theory, explicit expressions for magnetization, specific heat, and fluctuation conductivity are derived. We compare our results with recent experimental data on the iron-pnictide superconductors.
Effect of surfactant types and their concentration on the structural characteristics of nanoclay

NASA Astrophysics Data System (ADS)

Zawrah, M. F.; Khattab, R. M.; Saad, E. M.; Gado, R. A.

2014-03-01

A series of organo-modified nanoclays was synthesized using three different surfactants having different alkyl chain lengths and concentrations [0.5-5.0 cation exchange capacity (CEC)]. These surfactants were Ethanolamine (EA), Cetyltrimethylammoniumbromide (CTAB) and Tetraoctadecylammoniumbromide (TO). The obtained modified nanoclays were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR) and Scanning electron microscopy (SEM) and compared with unmodified nanoclay. The results of XRD analysis indicated that the basal d-spacing has increased with increasing alkyl chain length and surfactant concentration. From the obtained microstructures of these organo-modified nanoclays, the mechanism of surfactant adsorption was proposed. At relatively low loading of surfactant, most of surfactant entered the spacing by an ion-exchange mechanism and is adsorbed onto the interlayer cation sites. When the concentration of the surfactant exceeds the CEC of clay, the surfactant molecules then adhere to the surface adsorbed surfactant. Some surfactants entered the interlayers, whereas the others were attached to the clay surface. When the concentration of surfactant increased further beyond 2.0 CEC, the surfactants might occupy the inter-particle space within the house-of-cards aggregate structure.
Interlayer excitons in a bulk van der Waals semiconductor.

PubMed

Arora, Ashish; Drüppel, Matthias; Schmidt, Robert; Deilmann, Thorsten; Schneider, Robert; Molas, Maciej R; Marauhn, Philipp; Michaelis de Vasconcellos, Steffen; Potemski, Marek; Rohlfing, Michael; Bratschitsch, Rudolf

2017-09-21

Bound electron-hole pairs called excitons govern the electronic and optical response of many organic and inorganic semiconductors. Excitons with spatially displaced wave functions of electrons and holes (interlayer excitons) are important for Bose-Einstein condensation, superfluidity, dissipationless current flow, and the light-induced exciton spin Hall effect. Here we report on the discovery of interlayer excitons in a bulk van der Waals semiconductor. They form due to strong localization and spin-valley coupling of charge carriers. By combining high-field magneto-reflectance experiments and ab initio calculations for 2H-MoTe 2 , we explain their salient features: the positive sign of the g-factor and the large diamagnetic shift. Our investigations solve the long-standing puzzle of positive g-factors in transition metal dichalcogenides, and pave the way for studying collective phenomena in these materials at elevated temperatures.Excitons, quasi-particles of bound electron-hole pairs, are at the core of the optoelectronic properties of layered transition metal dichalcogenides. Here, the authors unveil the presence of interlayer excitons in bulk van der Waals semiconductors, arising from strong localization and spin-valley coupling of charge carriers.
Multifunctional Organic-Semiconductor Interfacial Layers for Solution-Processed Oxide-Semiconductor Thin-Film Transistor.

PubMed

Kwon, Guhyun; Kim, Keetae; Choi, Byung Doo; Roh, Jeongkyun; Lee, Changhee; Noh, Yong-Young; Seo, SungYong; Kim, Myung-Gil; Kim, Choongik

2017-06-01

The stabilization and control of the electrical properties in solution-processed amorphous-oxide semiconductors (AOSs) is crucial for the realization of cost-effective, high-performance, large-area electronics. In particular, impurity diffusion, electrical instability, and the lack of a general substitutional doping strategy for the active layer hinder the industrial implementation of copper electrodes and the fine tuning of the electrical parameters of AOS-based thin-film transistors (TFTs). In this study, the authors employ a multifunctional organic-semiconductor (OSC) interlayer as a solution-processed thin-film passivation layer and a charge-transfer dopant. As an electrically active impurity blocking layer, the OSC interlayer enhances the electrical stability of AOS TFTs by suppressing the adsorption of environmental gas species and copper-ion diffusion. Moreover, charge transfer between the organic interlayer and the AOS allows the fine tuning of the electrical properties and the passivation of the electrical defects in the AOS TFTs. The development of a multifunctional solution-processed organic interlayer enables the production of low-cost, high-performance oxide semiconductor-based circuits. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
TEM Analysis of Interfaces in Diffusion-Bonded Silicon Carbide Ceramics Joined Using Metallic Interlayers

NASA Technical Reports Server (NTRS)

Ozaki, T.; Tsuda, H.; Halbig, M. C.; Singh, M.; Hasegawa, Y.; Mori, S.; Asthana R.

2016-01-01

Silicon Carbide (SiC) is a promising material for thermo-structural applications due to its excellent high-temperature mechanical properties, oxidation resistance, and thermal stability. However, joining and integration technologies are indispensable for this material in order to fabricate large size and complex shape components with desired functionalities. Although diffusion bonding techniques using metallic interlayers have been commonly utilized to bond various SiC ceramics, detailed microstructural observation by Transmission Electron Microscopy (TEM) of the bonded area has not been carried out due to difficulty in preparing TEM samples. In this study, we tried to prepare TEM samples from joints of diffusion bonded SiC ceramics by Focused Ion Beam (FIB) system and carefully investigated the interfacial microstructure by TEM analysis. The samples used in this study were SiC fiber bonded ceramics (SA-Tyrannohex: SA-THX) diffusion bonded with metallic interlayers such as Ti, TiMo, and Mo-B. In this presentation, the result of microstructural analysis obtained by TEM observations and the influence of metallic interlayers and fiber orientation of SA-THX on the joint microstructure will be discussed.
Optimizing diffusion in multiplexes by maximizing layer dissimilarity

NASA Astrophysics Data System (ADS)

Serrano, Alfredo B.; Gómez-Gardeñes, Jesús; Andrade, Roberto F. S.

2017-05-01

Diffusion in a multiplex depends on the specific link distribution between the nodes in each layer, but also on the set of the intralayer and interlayer diffusion coefficients. In this work we investigate, in a quantitative way, the efficiency of multiplex diffusion as a function of the topological similarity among multiplex layers. This similarity is measured by the distance between layers, taken among the pairs of layers. Results are presented for a simple two-layer multiplex, where one of the layers is held fixed, while the other one can be rewired in a controlled way in order to increase or decrease the interlayer distance. The results indicate that, for fixed values of all intra- and interlayer diffusion coefficients, a large interlayer distance generally enhances the global multiplex diffusion, providing a topological mechanism to control the global diffusive process. For some sets of networks, we develop an algorithm to identify the most sensitive nodes in the rewirable layer, so that changes in a small set of connections produce a drastic enhancement of the global diffusion of the whole multiplex system.
Porous Carbon Paper as Interlayer to Stabilize the Lithium Anode for Lithium-Sulfur Battery.

PubMed

Kong, Ling-Long; Zhang, Ze; Zhang, Ye-Zheng; Liu, Sheng; Li, Guo-Ran; Gao, Xue-Ping

2016-11-23

The lithium-sulfur (Li-S) battery is expected to be the high-energy battery system for the next generation. Nevertheless, the degradation of lithium anode in Li-S battery is the crucial obstacle for practical application. In this work, a porous carbon paper obtained from corn stalks via simple treating procedures is used as interlayer to stabilize the surface morphology of Li anode in the environment of Li-S battery. A smooth surface morphology of Li is obtained during cycling by introducing the porous carbon paper into Li-S battery. Meanwhile, the electrochemical performance of sulfur cathode is partially enhanced by alleviating the loss of soluble intermediates (polysulfides) into the electrolyte, as well as the side reaction of polysulfides with metallic lithium. The Li-S battery assembled with the interlayer exhibits a large capacity and excellent capacity retention. Therefore, the porous carbon paper as interlayer plays a bifunctional role in stabilizing the Li anode and enhancing the electrochemical performance of the sulfur cathode for constructing a stable Li-S battery.
Interlayer-expanded molybdenum disulfide nanocomposites for electrochemical magnesium storage.

PubMed

Liang, Yanliang; Yoo, Hyun Deog; Li, Yifei; Shuai, Jing; Calderon, Hector A; Robles Hernandez, Francisco Carlos; Grabow, Lars C; Yao, Yan

2015-03-11

Mg rechargeable batteries (MgRBs) represent a safe and high-energy battery technology but suffer from the lack of suitable cathode materials due to the slow solid-state diffusion of the highly polarizing divalent Mg ion. Previous methods improve performance at the cost of incompatibility with anode/electrolyte and drastic decrease in volumetric energy density. Herein we report interlayer expansion as a general and effective atomic-level lattice engineering approach to transform inactive intercalation hosts into efficient Mg storage materials without introducing adverse side effects. As a proof-of-concept we have combined theory, synthesis, electrochemical measurement, and kinetic analysis to improve Mg diffusion behavior in MoS2, which is a poor Mg transporting material in its pristine form. First-principles simulations suggest that expanded interlayer spacing allows for fast Mg diffusion because of weakened Mg-host interactions. Experimentally, the expansion was realized by inserting a controlled amount of poly(ethylene oxide) into the lattice of MoS2 to increase the interlayer distance from 0.62 nm to up to 1.45 nm. The expansion boosts Mg diffusivity by 2 orders of magnitude, effectively enabling the otherwise barely active MoS2 to approach its theoretical storage capacity as well as to achieve one of the highest rate capabilities among Mg-intercalation materials. The interlayer expansion approach can be leveraged to a wide range of host materials for the storage of various ions, leading to novel intercalation chemistry and opening up new opportunities for the development of advanced materials for next-generation energy storage.
One-Pot Large-Scale Synthesis of Carbon Quantum Dots: Efficient Cathode Interlayers for Polymer Solar Cells.

PubMed

Yang, Yuzhao; Lin, Xiaofeng; Li, Wenlang; Ou, Jiemei; Yuan, Zhongke; Xie, Fangyan; Hong, Wei; Yu, Dingshan; Ma, Yuguang; Chi, Zhenguo; Chen, Xudong

2017-05-03

Cathode interlayers (CILs) with low-cost, low-toxicity, and excellent cathode modification ability are necessary for the large-scale industrialization of polymer solar cells (PSCs). In this contribution, we demonstrated one-pot synthesized carbon quantum dots (C-dots) with high production to serve as efficient CIL for inverted PSCs. The C-dots were synthesized by a facile, economical microwave pyrolysis in a household microwave oven within 7 min. Ultraviolet photoelectron spectroscopy (UPS) studies showed that the C-dots possessed the ability to form a dipole at the interface, resulting in the decrease of the work function (WF) of cathode. External quantum efficiency (EQE) measurements and 2D excitation-emission topographical maps revealed that the C-dots down-shifted the high energy near-ultraviolet light to low energy visible light to generate more photocurrent. Remarkably improvement of power conversion efficiency (PCE) was attained by incorporation of C-dots as CIL. The PCE was boosted up from 4.14% to 8.13% with C-dots as CIL, which is one of the best efficiency for i-PSCs used carbon based materials as interlayers. These results demonstrated that C-dots can be a potential candidate for future low cost and large area PSCs producing.
Scalable and sustainable synthesis of carbon microspheres via a purification-free strategy for sodium-ion capacitors

NASA Astrophysics Data System (ADS)

Wang, Shijie; Wang, Rutao; Zhang, Yabin; Jin, Dongdong; Zhang, Li

2018-03-01

Sodium-based energy storage receives a great deal of interest due to the virtually inexhaustible sodium reserve, while the scalable and sustainable strategies to synthesize carbon-based materials with suitable interlayer spaces and large sodium storage capacities are yet to be fully investigated. Carbon microspheres, with regular geometry, non-graphitic characteristic, and stable nature are promising candidates, yet the synthetic methods are usually complex and energy consuming. In this regard, we report a scalable purification-free strategy to synthesize carbon microspheres directly from 5 species of fresh juice. As-synthesized carbon microspheres exhibit dilated interlayer distance of 0.375 nm and facilitate Na+ uptake and release. For example, such carbon microsphere anodes have a specific capacity of 183.9 mAh g-1 at 50 mA g-1 and exhibit ultra-stability (99.0% capacity retention) after 10000 cycles. Moreover, via facile activation, highly porous carbon microsphere cathodes are fabricated and show much higher energy density at high rate than commercial activated carbon. Coupling the compelling anodes and cathodes above, novel sodium-ion capacitors show the high working potential up to 4.0 V, deliver a maximum energy density of 52.2 Wh kg-1, and exhibit an acceptable capacity retention of 85.7% after 2000 cycles.
Formation of hydrotalcite in aqueous solutions and intercalation of ATP by anion exchange.

PubMed

Tamura, Hiroki; Chiba, Jun; Ito, Masahiro; Takeda, Takashi; Kikkawa, Shinichi; Mawatari, Yasuteru; Tabata, Masayoshi

2006-08-15

The formation reaction and the intercalation of adenosine triphosphate (ATP) were studied for hydrotalcite (HT), a layered double hydroxide (LDH) of magnesium and aluminum. Hydrotalcite with nitrate ions in the interlayer (HT-NO(3)) was formed (A) by dropwise addition of a solution of magnesium and aluminum nitrates (pH ca. 3) to a sodium hydroxide solution (pH ca. 14) until the pH decreased from 14 to 10 and (B) by dropwise addition of the NaOH solution to the solution of magnesium and aluminum nitrates with pH increasing from 3 to 10. The precipitate obtained with method B was contaminated with aluminum hydroxide and the crystallinity of the product was low, possibly because aluminum hydroxide precipitates at pH 4 or 5 and remains even after HT-NO(3) forms at pH above 8. With method A, however, the precipitate was pure HT-NO(3) with increased crystallinity, since the solubility of aluminum hydroxide at pH above and around 10 is high as dissolved aluminate anions are stable in this high pH region, and there was no aluminum hydroxide contamination. The formed HT-NO(3) had a composition of [Mg(0.71)Al(0.29)(OH)(2)](NO(3))(0.29).0.58H(2)O. To intercalate ATP anions into the HT-NO(3), HT-NO(3) was dispersed in an ATP solution at pH 7. It was found that the interlayer nitrate ions were completely exchanged with ATP anions by ion exchange, and the interlayer distance expanded almost twice with a free space distance of 1.2 nm. The composition of HT-ATP was established as [Mg(0.68)Al(0.32)(OH)(2)](ATP)(0.080)0.88H(2)O. The increased distance could be explained with a calculated molecular configuration of the ATP as follows: An ATP molecule is bound to an interlayer surface with the triphosphate group, the adenosine group bends owing to its bond angles and projects into the interlayer to a height of 1 nm, and the adenosine groups aligned in the interlayer support the interlayer distance.
Commercial expanded graphite as a low-cost, long-cycling life anode for potassium-ion batteries with conventional carbonate electrolyte

NASA Astrophysics Data System (ADS)

An, Yongling; Fei, Huifang; Zeng, Guifang; Ci, Lijie; Xi, Baojuan; Xiong, Shenglin; Feng, Jinkui

2018-02-01

Design and synthesis of capable anode materials that can store the large size K+ is the key of development for potassium-ion batteries. The low-cost and commercial expanded graphite with large particles is a graphite-derived material with good conductivity and enlarged interlayer spaces to boost the potassium ion diffusion coefficient during charge/discharge process. Thus, we achieve excellent anode performance for potassium-ion batteries based on an expanded graphite. It can deliver a capacity of 263 mAh g-1 at the rate of 10 mA g-1 and the reversible capacity remains almost unchanged after 500 cycles at a high rate of 200 mA g-1 with a coulombic efficiency of around 100%. The potassium storage mechanism is investigated by the ex situ XRD technique. This excellent potassium storage performance will make the expanded graphite promising anode candidate for potassium ion batteries.
Magnetodielectric effect in CdS nanosheets grown within Na-4 mica

NASA Astrophysics Data System (ADS)

Mandal, Amrita; Mitra, Sreemanta; Datta, Anindya; Banerjee, Sourish; Chakravorty, Dipankar

2012-04-01

CdS nanosheets of thickness 0.6 nm were grown within the interlayer spaces of Na-4 mica. Magnetization measurements carried out in the temperature range 2-300 K showed the composites to have weak ferromagnetic-like properties even at room temperature. The saturation magnetization (MS) at room temperature was found to be higher than that reported for CdS nanoparticles. The higher value of MS may be ascribed to the presence of a large number defects in the present CdS system, due to a large surface to volume ratio in the nanosheets as compared to that of CdS nanoparticles. The nanocomposites exhibited a magnetodielectric effect with a dielectric constant change of 5.3% for a magnetic field of 0.5 T. This occurred due to a combination of magnetoresistance and Maxwell-Wagner effect as delineated in the model developed by Catalan.
Molecular simulation of dispersion and mechanical stability of organically modified layered silicates in polymer matrices

NASA Astrophysics Data System (ADS)

Fu, Yao-Tsung

The experimental analysis of nanometer-scale separation processes and mechanical properties at buried interfaces in nanocomposites has remained difficult. We have employed molecular dynamics simulation in relation to available experimental data to alleviate such limitations and gain insight into the dispersion and mechanical stability of organically modified layered silicates in hydrophobic polymer matrices. We analyzed cleavage energies of various organically modified silicates as a function of the cation exchange capacity, surfactant head group chemistry, and chain length using MD simulations with the PCFF-PHYLLOSILICATE force field. The range of the cleavage energy is between 25 and 210 mJ/m2 upon the molecular structures and packing of surfactants. As a function of chain length, the cleavage energy indicates local minima for interlayer structures comprised of loosely packed layers of alkyl chains and local maxima for interlayer structures comprised of densely packed layers of alkyl chains between the layers. In addition, the distribution of cationic head groups between the layers in the equilibrium state determines whether large increases in cleavage energy due to Coulomb attraction. We have also examined mechanical bending and failure mechanisms of layered silicates on the nanometer scale using molecular dynamics simulation in comparison to a library of TEM data of polymer nanocomposites. We investigated the energy of single clay lamellae as a function of bending radius and different cation density. The layer energy increases particularly for bending radii below 20 nm and is largely independent of cation exchange capacity. The analysis of TEM images of agglomerated and exfoliated aluminosilicates of different CEC in polymer matrices at small volume fractions showed bending radii in excess of 100 nm due to free volumes in the polymer matrix. At a volume fraction >5%, however, bent clay layers were found with bending radii <20 nm and kinks as a failure mechanism in good agreement with simulation results. We have examined thermal conductivity of organically modified layered silicates using molecular dynamics simulation in comparison to experimental results by laser measurement. The thermal conductivity slightly increased from 0.08 to 0.14 Wm-1K-1 with increasing chain length, related to the gallery spacing and interlayer density of the organic material.
Layered metal sulfides: Exceptionally selective agents for radioactive strontium removal

PubMed Central

Manos, Manolis J.; Ding, Nan; Kanatzidis, Mercouri G.

2008-01-01

In this article, we report the family of robust layered sulfides K2xMnxSn3-xS6 (x = 0.5–0.95) (KMS-1). These materials feature hexagonal [MnxSn3-xS6]2x− slabs of the CdI2 type and contain highly mobile K+ ions in their interlayer space that are easily exchangeable with other cations and particularly strontium. KMS-1 display outstanding preference for strontium ions in highly alkaline solutions containing extremely large excess of sodium cations as well as in acidic environment where most alternative adsorbents with oxygen ligands are nearly inactive. The implication of these results is that simple layered sulfides should be considered for the efficient remediation of certain nuclear wastes. PMID:18316731

Controllably Designed "Vice-Electrode" Interlayers Harvesting High Performance Lithium Sulfur Batteries.

PubMed

Hao, Youchen; Xiong, Dongbin; Liu, Wen; Fan, Linlin; Li, Dejun; Li, Xifei

2017-11-22

An interlayer has been regarded as a promising mediator to prolong the life span of lithium sulfur batteries because its excellent absorbability to soluble polysulfide efficiently hinders the shuttle effect. Herein, we designed various interlayers and understand the working mechanism of an interlayer for lithium sulfur batteries in detail. It was found that the electrochemical performance of a S electrode for an interlayer located in cathode side is superior to the pristine one without interlayers. Surprisingly, the performance of the S electrode for an interlayer located in anode side is poorer than that of pristine one. For comparison, glass fibers were also studied as a nonconductive interlayer for lithium sulfur batteries. Unlike the two interlayers above, these nonconductive interlayer did displays significant capacity fading because polysulfides were adsorbed onto insulated interlayer. Thus, the nonconductive interlayer function as a "dead zone" upon cycling. Based on our findings, it was for the first time proposed that a controllably optimized interlayer, with electrical conductivity as well as the absorbability of polysulfides, may function as a "vice-electrode" of the anode or cathode upon cycling. Therefore, the cathodic conductive interlayer can enhance lithium sulfur battery performance, and the anodic conductive interlayer may be helpful for the rational design of 3D networks for the protection of lithium metal.
Calcium silicate hydrates: Solid and liquid phase composition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lothenbach, Barbara, E-mail: Barbara.lothenbach@empa.ch; Nonat, André

This paper presents a review on the relationship between the composition, the structure and the solution in which calcium silicate hydrate (C–S–H) is equilibrated. The silica chain length in C–S–H increases with the silicon concentration and the calcium content in the interlayer space with the calcium concentrations. Sodium and potassium are taken up in the interlayer space, preferentially at low calcium concentrations and thus by low Ca/Si C–S–H. Aluminium uptake in C–S–H increases strongly at higher aluminium concentrations in the solution. At low Ca/Si, aluminium substitutes silica in the bridging position, at Ca/Si > 1 aluminium is bound in TAH.more » Recently developed thermodynamic models are closely related to the structure of C–S–H and tobermorite, and able to model not only the solubility and the chemical composition of the C–S–H, but also to predict the mean silica chain length and the uptake of aluminium.« less
Wave energy transfer in elastic half-spaces with soft interlayers.

PubMed

Glushkov, Evgeny; Glushkova, Natalia; Fomenko, Sergey

2015-04-01

The paper deals with guided waves generated by a surface load in a coated elastic half-space. The analysis is based on the explicit integral and asymptotic expressions derived in terms of Green's matrix and given loads for both laminate and functionally graded substrates. To perform the energy analysis, explicit expressions for the time-averaged amount of energy transferred in the time-harmonic wave field by every excited guided or body wave through horizontal planes and lateral cylindrical surfaces have been also derived. The study is focused on the peculiarities of wave energy transmission in substrates with soft interlayers that serve as internal channels for the excited guided waves. The notable features of the source energy partitioning in such media are the domination of a single emerging mode in each consecutive frequency subrange and the appearance of reverse energy fluxes at certain frequencies. These effects as well as modal and spatial distribution of the wave energy coming from the source into the substructure are numerically analyzed and discussed.
Van der Waals epitaxial growth of two-dimensional single-crystalline GaSe domains on graphene

DOE PAGES

Li, Xufan; Basile, Leonardo; Huang, Bing; ...

2015-07-22

Two-dimensional (2D) van der Waals (vdW) heterostructures are a family of artificially-structured materials that promise tunable optoelectronic properties for devices with enhanced functionalities. Compared to stamping, direct epitaxy of vdW heterostructures is ideal for clean interlayer interfaces and scalable device fabrication. Here, we explore the synthesis and preferred orientations of 2D GaSe atomic layers on graphene (Gr) by vdW epitaxy. Guided by the wrinkles on graphene, GaSe nuclei form that share a predominant lattice orientation. Due to vdW epitaxial growth many nuclei grow as perfectly aligned crystals and coalesce to form large (tens of microns), single-crystal flakes. Through theoretical investigationsmore » of interlayer energetics, and measurements of preferred orientations by atomic-resolution STEM and electron diffraction, a 10.9 interlayer rotation of the GaSe lattice with respect to the underlying graphene is found to be the most energetically preferred vdW heterostructure with the largest binding energy and the longest-range ordering. These GaSe/Gr vdW heterostructures exhibit an enhanced Raman E 2 1g band of monolayer GaSe along with highly-quenched photoluminescence due to strong charge transfer. Despite the very large lattice mismatch of GaSe/Gr through vdW epitaxy, the predominant orientation control and convergent formation of large single-crystal flakes demonstrated here is promising for the scalable synthesis of large-area vdW heterostructures for the development of new optical and optoelectronic devices.« less
Van der Waals epitaxial growth of two-dimensional single-crystalline GaSe domains on graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Xufan; Basile, Leonardo; Huang, Bing

Two-dimensional (2D) van der Waals (vdW) heterostructures are a family of artificially-structured materials that promise tunable optoelectronic properties for devices with enhanced functionalities. Compared to stamping, direct epitaxy of vdW heterostructures is ideal for clean interlayer interfaces and scalable device fabrication. Here, we explore the synthesis and preferred orientations of 2D GaSe atomic layers on graphene (Gr) by vdW epitaxy. Guided by the wrinkles on graphene, GaSe nuclei form that share a predominant lattice orientation. Due to vdW epitaxial growth many nuclei grow as perfectly aligned crystals and coalesce to form large (tens of microns), single-crystal flakes. Through theoretical investigationsmore » of interlayer energetics, and measurements of preferred orientations by atomic-resolution STEM and electron diffraction, a 10.9 interlayer rotation of the GaSe lattice with respect to the underlying graphene is found to be the most energetically preferred vdW heterostructure with the largest binding energy and the longest-range ordering. These GaSe/Gr vdW heterostructures exhibit an enhanced Raman E 2 1g band of monolayer GaSe along with highly-quenched photoluminescence due to strong charge transfer. Despite the very large lattice mismatch of GaSe/Gr through vdW epitaxy, the predominant orientation control and convergent formation of large single-crystal flakes demonstrated here is promising for the scalable synthesis of large-area vdW heterostructures for the development of new optical and optoelectronic devices.« less
Enhanced desorption of cesium from collapsed interlayer regions in vermiculite by hydrothermal treatment with divalent cations.

PubMed

Yin, Xiangbiao; Wang, Xinpeng; Wu, Hao; Ohnuki, Toshihiko; Takeshita, Kenji

2017-03-15

Adsorption of cesium (Cs) on phyllosilicates has been intensively investigated because natural soils have strong ability of immobilizing Cs within clay minerals resulting in difficulty of decontamination. The objectives of present study are to clarify how Cs fixation on vermiculite is influenced by structure change caused by Cs sorption at different loading levels and how Cs desorption is affected by various replacing cations induced at different treating temperature. As a result, more than 80% of Cs was readily desorbed from vermiculite with loading amount of 2% saturated Cs (5.49×10 -3 mmolg -1 ) after four cycles of treatment of 0.01M Mg 2+ /Ca 2+ at room temperature, but less than 20% of Cs was desorbed from saturated vermiculite. These distinct desorption patterns were attributed to inhibition of Cs desorption by interlayer collapse of vermiculite, especially at high Cs loadings. In contrast, elevated temperature significantly facilitated divalent cations to efficiently desorb Cs from collapsed regions. After five cycles of treatment at 250°C with 0.01M Mg 2+ , ∼100% removal of saturated Cs was achieved. X-ray diffraction analysis results suggested that Cs desorption was completed through enhanced diffusion of Mg 2+ cations into collapsed interlayer space under hydrothermal condition resulting in subsequent interlayer decollapse and readily release of Cs + . Copyright © 2016 Elsevier B.V. All rights reserved.
Effect of van der Waals interactions on the structural and binding properties of GaSe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarkisov, Sergey Y., E-mail: sarkisov@mail.tsu.ru; Kosobutsky, Alexey V., E-mail: kosobutsky@kemsu.ru; Kemerovo State University, Krasnaya 6, 650043 Kemerovo

The influence of van der Waals interactions on the lattice parameters, band structure, elastic moduli and binding energy of layered GaSe compound has been studied using projector-augmented wave method within density functional theory. We employed the conventional local/semilocal exchange-correlation functionals and recently developed van der Waals functionals which are able to describe dispersion forces. It is found that application of van der Waals density functionals allows to substantially increase the accuracy of calculations of the lattice constants a and c and interlayer distance in GaSe at ambient conditions and under hydrostatic pressure. The pressure dependences of the a-parameter, Ga–Ga, Ga–Semore » bond lengths and Ga–Ga–Se bond angle are characterized by a relatively low curvature, while c(p) has a distinct downward bowing due to nonlinear shrinking of the interlayer spacing. From the calculated binding energy curves we deduce the interlayer binding energy of GaSe, which is found to be in the range 0.172–0.197 eV/layer (14.2–16.2 meV/Å{sup 2}). - Highlights: • Effects of van der Waals interactions are analyzed using advanced density functionals. • Calculations with vdW-corrected functionals closely agree with experiment. • Interlayer binding energy of GaSe is estimated to be 14.2–16.2 meV/Å{sup 2}.« less
Enhanced superconducting transition temperature in hyper-interlayer-expanded FeSe despite the suppressed electronic nematic order and spin fluctuations

NASA Astrophysics Data System (ADS)

Hrovat, Matevž Majcen; Jeglič, Peter; Klanjšek, Martin; Hatakeda, Takehiro; Noji, Takashi; Tanabe, Yoichi; Urata, Takahiro; Huynh, Khuong K.; Koike, Yoji; Tanigaki, Katsumi; Arčon, Denis

2015-09-01

The superconducting critical temperature, Tc, of FeSe can be dramatically enhanced by intercalation of a molecular spacer layer. Here we report on a 77Se,7Li , and 1H nuclear magnetic resonance (NMR) study of the powdered hyper-interlayer-expanded Lix(C2H8N2) yFe2 -zSe2 with a nearly optimal Tc=45 K. The absence of any shift in the 7Li and 1H NMR spectra indicates a complete decoupling of interlayer units from the conduction electrons in FeSe layers, whereas nearly temperature-independent 7Li and 1H spin-lattice relaxation rates are consistent with the non-negligible concentration of Fe impurities present in the insulating interlayer space. On the other hand, the strong temperature dependence of 77Se NMR shift and spin-lattice relaxation rate, 1 /77T1 , is attributed to the holelike bands close to the Fermi energy. 1 /77T1 shows no additional anisotropy that would account for the onset of electronic nematic order down to Tc. Similarly, no enhancement in 1 /77T1 due to the spin fluctuations could be found in the normal state. Yet, a characteristic power-law dependence 1 /77T1∝T4.5 still complies with the Cooper pairing mediated by spin fluctuations.
Gadolinium doped ceria interlayers for Solid Oxide Fuel Cells cathodes: Enhanced reactivity with sintering aids (Li, Cu, Zn), and improved densification by infiltration

NASA Astrophysics Data System (ADS)

Nicollet, Clement; Waxin, Jenny; Dupeyron, Thomas; Flura, Aurélien; Heintz, Jean-Marc; Ouweltjes, Jan Pieter; Piccardo, Paolo; Rougier, Aline; Grenier, Jean-Claude; Bassat, Jean-Marc

2017-12-01

This paper reports the study of the densification of 20% Gd doped ceria (Ce0.8Gd0.2O1.9 (GDC)) interlayers in SOFC cathodes through two different routes: the well-known addition of sintering elements, and an innovative densification process by infiltration. First, Li, Cu, and Zn nitrates were added to GDC powders. The effect of these additives on the densification was studied by dilatometry on pellets, and show a large decrease of the sintering temperature from 1330 °C (pure GDC), down to 1080 °C, 950 °C, and 930 °C for Zn, Cu, and Li addition, respectively. However, this promising result does not apply to screen-printed layers, which are more porous than pellets and in which the shrinkage is constrained by the substrate. The second approach consists in preparing a pre-sintered GDC layer, which is subsequently infiltrated with Ce and Gd nitrates and sintered at 1250 °C to increase its density. Such an approach results in highly dense GDC interlayers. Using La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF) as electrode, the influence of the interlayers on the cathode performance was studied. The addition of sintering aids dramatically increases the cell resistances, most likely because the additives increase the reactivity between GDC and either Yttria Stabilized Zirconia (YSZ) or LSCF, thus losing the expected benefit related to the decrease of sintering temperatures. The interlayers prepared by infiltration do not induce additional resistances in the cell, which results in power densities of single cells 40-50% higher than those of cells prepared with commercial GDC interlayers, making this approach a valuable alternative to sintering aids.
Impact of Interlayer Dwell Time on Microstructure and Mechanical Properties of Nickel and Titanium Alloys

NASA Astrophysics Data System (ADS)

Foster, B. K.; Beese, A. M.; Keist, J. S.; McHale, E. T.; Palmer, T. A.

2017-09-01

Path planning in additive manufacturing (AM) processes has an impact on the thermal histories experienced at discrete locations in simple and complex AM structures. One component of path planning in directed energy deposition is the time required for the laser or heat source to return to a given location to add another layer of material. As structures become larger and more complex, the length of this interlayer dwell time can significantly impact the resulting thermal histories. The impact of varying dwell times between 0 and 40 seconds on the microstructural and mechanical properties of Inconel® 625 and Ti-6Al-4V builds has been characterized. Even though these materials display different microstructures and solid-state phase transformations, the addition of an interlayer dwell generally led to a finer microstructure in both materials that impacted the resulting mechanical properties. With the addition of interlayer dwell times up to 40 seconds in the Inconel® 625 builds, finer secondary dendrite arm spacing values, produced by changes in the thermal history, correspond to increased yield and tensile strengths. These mechanical properties did not appear to change significantly, however, for dwell times greater than 20 seconds in the Inconel® 625 builds, indicating that longer dwell times have a minimal impact. The addition of interlayer dwell times in Ti-6Al-4V builds resulted in a slight decrease in the measured alpha lath widths and a much more noticeable decrease in the width of prior beta grains. In addition, the yield and tensile values continued to increase, nearly reaching the values observed in the rolled plate substrate material with dwell times up to 40 seconds.
Ultrafast synthesis of Te nanorods as cathode materials for lithium-tellurium batteries

NASA Astrophysics Data System (ADS)

Huang, Dekang; Li, Shu; Xiao, Xin; Cao, Minglei; Gao, Lin; Xiang, Yong-Gang; Chen, Hao; Shen, Yan

2017-12-01

Recently, tellurium has been regarded as a promising cathode material for rechargeable lithium-ion batteries due to its high theoretical volumetric capacity. However, a plethora of research are focusing on impregnating the tellurium into porous carbon materials by the thermal-diffusion method, which would consume large amounts of energy and take prolonged time. Herein, a carbon and binder-free cathode with 100% Te is fabricated by a facile galvanic replacement method on a nickle foam. Driven by the large electrochemical potential difference between Ni and Te, desirable amounts of Te can be obtained in just 10 min with no need of energy input. Li-Te batteries constructed by the as-obtained cathode show relatively good performance in DMSO solvent. To further elevate the performance of this battery especially at low current density, commercial carbon cloth is added between the separator and Te electrode as an interlayer. The cell with interlayer delivers a gravimetric capacity of 116.2 mAh g-1 after 70 cycles at the current density of 100 mA g-1, which is 2.8 times as high as that of a cell without interlayer (40.4 mAh g-1).
Social contagions on correlated multiplex networks

NASA Astrophysics Data System (ADS)

Wang, Wei; Cai, Meng; Zheng, Muhua

2018-06-01

The existence of interlayer degree correlations has been disclosed by abundant multiplex network analysis. However, how they impose on the dynamics of social contagions are remain largely unknown. In this paper, we propose a non-Markovian social contagion model in multiplex networks with inter-layer degree correlations to delineate the behavior spreading, and develop an edge-based compartmental (EBC) theory to describe the model. We find that multiplex networks promote the final behavior adoption size. Remarkably, it can be observed that the growth pattern of the final behavior adoption size, versus the behavioral information transmission probability, changes from discontinuous to continuous once decreasing the behavior adoption threshold in one layer. We finally unravel that the inter-layer degree correlations play a role on the final behavior adoption size but have no effects on the growth pattern, which is coincidence with our prediction by using the suggested theory.
Coherent Interlayer Tunneling and Negative Differential Resistance with High Current Density in Double Bilayer Graphene-WSe2 Heterostructures.

PubMed

Burg, G William; Prasad, Nitin; Fallahazad, Babak; Valsaraj, Amithraj; Kim, Kyounghwan; Taniguchi, Takashi; Watanabe, Kenji; Wang, Qingxiao; Kim, Moon J; Register, Leonard F; Tutuc, Emanuel

2017-06-14

We demonstrate gate-tunable resonant tunneling and negative differential resistance between two rotationally aligned bilayer graphene sheets separated by bilayer WSe 2 . We observe large interlayer current densities of 2 and 2.5 μA/μm 2 and peak-to-valley ratios approaching 4 and 6 at room temperature and 1.5 K, respectively, values that are comparable to epitaxially grown resonant tunneling heterostructures. An excellent agreement between theoretical calculations using a Lorentzian spectral function for the two-dimensional (2D) quasiparticle states, and the experimental data indicates that the interlayer current stems primarily from energy and in-plane momentum conserving 2D-2D tunneling, with minimal contributions from inelastic or non-momentum-conserving tunneling. We demonstrate narrow tunneling resonances with intrinsic half-widths of 4 and 6 meV at 1.5 and 300 K, respectively.
Ultraviolet absorption spectrum of the half-filled bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-07-01

We consider the optical properties of the half-filled AB-stacked bilayer graphene with the excitonic pairing and condensation between the layers. Both intra and interlayer local Coulomb interaction effects have been taken into account and the role of the exact Fermi energy has been discussed in details. We have calculated the absorption coefficient, refractive index, dielectric response functions and the electron energy loss spectrum for different interlayer Coulomb interaction regimes and for different temperatures. Considering the full four-band model for the interacting AB bilayer graphene, a good agreement is achieved with other theoretical and experimental works on the subject, in particular, limiting cases of the theory. The calculations, presented here, permit to estimate accurately the effects of excitonic pairing and condensation on the optical properties of the bilayer graphene. The modifications of the plasmon excitation spectrum are discussed in details for a very large interval of the interlayer interaction parameter.
Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers.

PubMed

Hollerer, Michael; Lüftner, Daniel; Hurdax, Philipp; Ules, Thomas; Soubatch, Serguei; Tautz, Frank Stefan; Koller, Georg; Puschnig, Peter; Sterrer, Martin; Ramsey, Michael G

2017-06-27

It is becoming accepted that ultrathin dielectric layers on metals are not merely passive decoupling layers, but can actively influence orbital energy level alignment and charge transfer at interfaces. As such, they can be important in applications ranging from catalysis to organic electronics. However, the details at the molecular level are still under debate. In this study, we present a comprehensive analysis of the phenomenon of charge transfer promoted by a dielectric interlayer with a comparative study of pentacene adsorbed on Ag(001) with and without an ultrathin MgO interlayer. Using scanning tunneling microscopy and photoemission tomography supported by density functional theory, we are able to identify the orbitals involved and quantify the degree of charge transfer in both cases. Fractional charge transfer occurs for pentacene adsorbed on Ag(001), while the presence of the ultrathin MgO interlayer promotes integer charge transfer with the lowest unoccupied molecular orbital transforming into a singly occupied and singly unoccupied state separated by a large gap around the Fermi energy. Our experimental approach allows a direct access to the individual factors governing the energy level alignment and charge-transfer processes for molecular adsorbates on inorganic substrates.
Thermally induced growth of ZnO nanocrystals on mixed metal oxide surfaces.

PubMed

Inayat, Alexandra; Makky, Ayman; Giraldo, Jose; Kuhnt, Andreas; Busse, Corinna; Schwieger, Wilhelm

2014-06-23

An in situ method for the growth of ZnO nanocrystals on Zn/Al mixed metal oxide (MMO) surfaces is presented. The key to this method is the thermal treatment of Zn/Al layered double hydroxides (Zn/Al LDHs) in the presence of nitrate anions, which results in partial demixing of the LDH/MMO structure and the subsequent crystallization of ZnO crystals on the surface of the forming MMO layers. In a first experimental series, thermal treatment of Zn/Al LDHs with different fractions of nitrate and carbonate in the interlayer space was examined by thermogravimetry coupled with mass spectrometry (TG-MS) and in situ XRD. In a second experimental series, Zn/Al LDHs with only carbonate in the interlayer space were thermally treated in the presence of different amounts of an external nitrate source (NH4NO3). All obtained Zn/Al MMO samples were analysed by electron microscopy, nitrogen physisorption and powder X-ray diffraction. The gas phase formed during nitrate decomposition turned out to be responsible for the formation of crystalline ZnO nanoparticles. Accordingly, both interlayer nitrate and the presence of ammonium nitrate led to the formation of supported ZnO nanocrystals with mean diameters between 100 and 400 nm, and both methods offer the possibility to tailor the amount and size of the ZnO crystals by means of the amount of nitrate. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Carbon with Expanded and Well-Developed Graphene Planes Derived Directly from Condensed Lignin as a High-Performance Anode for Sodium-Ion Batteries.

PubMed

Yoon, Dohyeon; Hwang, Jieun; Chang, Wonyoung; Kim, Jaehoon

2018-01-10

In this study, we demonstrate that lignin, which constitutes 30-40 wt % of the terrestrial lignocellulosic biomass and is produced from second generation biofuel plants as a cheap byproduct, is an excellent precursor material for sodium-ion battery (NIB) anodes. Because it is rich in aromatic monomers that are highly cross-linked by ether and condensed bonds, the lignin material carbonized at 1300 °C (C-1300) in this study has small graphitic domains with well-developed graphene layers, a large interlayer spacing (0.403 nm), and a high micropore surface area (207.5 m 2 g -1 ). When tested as an anode in an NIB, C-1300 exhibited an initial Coulombic efficiency of 68% and a high reversible capacity of 297 mA h g -1 at 50 mA g -1 after 50 cycles. The high capacity of 199 mA h g -1 at less than 0.1 V with a flat voltage profile and an extremely low charge-discharge voltage hysteresis (<0.03 V) make C-1300 a promising energy-dense electrode material. In addition, C-1300 exhibited an excellent high-rate performance of 116 mA h g -1 at 2.5 A g -1 and showed stable cycling retention (0.2% capacity decay per cycle after 500 cycles). By comparing the properties of the lignin-derived carbon with oak sawdust-derived and sugar-derived carbons and a low-temperature carbonized sample (900 °C), the reasons for the excellent performance of C-1300 were determined to result from facilitated Na + -ion transport to the graphitic layer and the microporous regions that penetrate through the less defective and enlarged interlayer spacings.
Al/Cu Dissimilar Friction Stir Welding with Ni, Ti, and Zn Foil as the Interlayer for Flow Control, Enhancing Mechanical and Metallurgical Properties

NASA Astrophysics Data System (ADS)

Sahu, Prakash Kumar; Pal, Sukhomay; Pal, Surjya K.

2017-07-01

This research investigates the effects of Ni, Ti, and Zn foil as interlayer, inserted between the faying edges of Al and Cu plates, for controlled intermetallic compound (IMC) formation. The weld tensile strength with Ti and Zn as interlayer is superior to Al base metal strength. This is due to controlled flow of IMCs by diffused Ti interlayer and thin, continuous, and uniform IMC formation in the case of Zn interlayer. Improved flexural stress was observed with interlayer. Weld microhardness varied with different interlayers and purely depends on IMCs present at the indentation point, flow of IMCs, and interlayer hardness. Specimens with interlayer failed at the interface of the nugget and thermomechanical-affected zone (TMAZ) with complete and broken three-dimensional (3-D) grains, indicating transgranular fracture. Phase analysis revealed that Al/Cu IMCs are impeded by Ni and Ti interlayer. The minor binary and ternary IMC phases form adjacent to the interlayer due to diffusion of the material with Al/Cu. Line scan and elemental mapping indicate thin, continuous, and uniform IMCs with enhanced weld metallurgical and mechanical properties for the joints with Zn interlayer. Macrostructural analysis revealed IMC flow variations with and without interlayer. Variation in grain size at different zones is also observed for different interlayers.
Intercalation chemistry of zirconium 4-sulfophenylphosphonate

NASA Astrophysics Data System (ADS)

Svoboda, Jan; Zima, Vítězslav; Melánová, Klára; Beneš, Ludvík; Trchová, Miroslava

2013-12-01

Zirconium 4-sulfophenylphosphonate is a layered material which can be employed as a host for the intercalation reactions with basic molecules. A wide range of organic compounds were chosen to represent intercalation ability of zirconium 4-sulfophenylphosphonate. These were a series of alkylamines from methylamine to dodecylamine, 1,4-phenylenediamine, p-toluidine, 1,8-diaminonaphthalene, 1-aminopyrene, imidazole, pyridine, 4,4‧-bipyridine, poly(ethylene imine), and a series of amino acids from glycine to 6-aminocaproic acid. The prepared compounds were characterized by powder X-ray diffraction, thermogravimetry analysis and IR spectroscopy and probable arrangement of the guest molecules in the interlayer space of the host is proposed based on the interlayer distance of the prepared intercalates and amount of the intercalated guest molecules.
Influence of various thickness metallic interlayers on opto-electric and mechanical properties of AZO thin films on PET substrates

NASA Astrophysics Data System (ADS)

Chang, R. C.; Li, T. C.; Lin, C. W.

2012-02-01

Various thickness metallic interlayers to improve the opto-electric and mechanical properties of aluminum-doped zinc oxide (AZO) thin films deposited on flexible polyethylene terephtalate (PET) substrates are studied. The effects of the interlayers on the resistance and transmittance of the AZO thin films are discussed. The result shows that the metallic interlayers effectively improve the electric resistance but reduce the optical transmittance of the AZO thin films. These phenomena become more obvious as the interlayer thickness increases. However, the AZO with an aluminum interlayer still behaves an acceptable transmittance. Moreover, mechanical tests indicate that the aluminum interlayer increases the hardness and modulus, and reduce the residual stress of the AZO thin films. In contrast, the silver and copper interlayers decrease the AZO's mechanical properties. Comparing to those without any interlayer, the results show that the best interlayer is the 6 nm thick aluminum film.

New superconductor LixFe1+δSe (x ≤ 0.07, Tc up to 44 K) by an electrochemical route

NASA Astrophysics Data System (ADS)

Alekseeva, Anastasia M.; Drozhzhin, Oleg A.; Dosaev, Kirill A.; Antipov, Evgeny V.; Zakharov, Konstantin V.; Volkova, Olga S.; Chareev, Dmitriy A.; Vasiliev, Alexander N.; Koz, Cevriye; Schwarz, Ulrich; Rosner, Helge; Grin, Yuri

2016-05-01

The superconducting transition temperature (Tc) of tetragonal Fe1+δSe was enhanced from 8.5 K to 44 K by chemical structure modification. While insertion of large alkaline cations like K or solvated lithium and iron cations in the interlayer space, the [Fe2Se2] interlayer separation increases significantly from 5.5 Å in native Fe1+δSe to >7 Å in KxFe1-ySe and to >9 Å in Li1-xFex(OH)Fe1-ySe, we report on an electrochemical route to modify the superconducting properties of Fe1+δSe. In contrast to conventional chemical (solution) techniques, the electrochemical approach allows to insert non-solvated Li+ into the Fe1+δSe structure which preserves the native arrangement of [Fe2Se2] layers and their small separation. The amount of intercalated lithium is extremely small (about 0.07 Li+ per f.u.), however, its incorporation results in the enhancement of Tc up to ˜44 K. The quantum-mechanical calculations show that Li occupies the octahedrally coordinated position, while the [Fe2Se2] layers remain basically unmodified. The obtained enhancement of the electronic density of states at the Fermi level clearly exceeds the effect expected on basis of rigid band behavior.
The influence of oxalate-promoted growth of saponite and talc crystals

USGS Publications Warehouse

Schumann, Dirk; Hartman, Hyman; Eberl, Dennis D.; Sears, S. Kelly; Hesse, Reinhard; Vali, Hojatollah

2013-01-01

The intercalating growth of new silicate layers or metal hydroxide layers in the interlayer space of other clay minerals is known from various mixed-layer clay minerals such as illite-smectite (I-S), chlorite-vermiculite, and mica-vermiculite. In a recent study, the present authors proposed that smectite-group minerals can be synthesized from solution as new 2:1 silicate layers within the low-charge interlayers of rectorite. That study showed how oxalate catalyzes the crystallization of saponite from a silicate gel at low temperatures (60ºC) and ambient pressure. As an extension of this work the aim of the present study was to test the claim that new 2:1 silicate layers can be synthesized as new intercalating layers in the low-charge interlayers of rectorite and whether oxalate could promote such an intercalation synthesis. Two experiments were conducted at 60ºC and atmospheric pressure. First, disodium oxalate solution was added to a suspension of rectorite in order to investigate the effects that oxalate anions have on the structure of rectorite. In a second experiment, silicate gel of saponitic composition (calculated interlayer charge −0.33 eq/O10(OH)2) was mixed with a suspension of rectorite and incubated in disodium oxalate solution. The synthesis products were extracted after 3 months and analyzed by X-ray diffraction and high-resolution transmission electron microscopy (HRTEM). The treatment of ultrathin sections with octadecylammonium (nC = 18) cations revealed the presence of 2:1 layer silicates with different interlayer charges that grew from the silicate gel. The oxalate-promoted nucleation of saponite and talc crystallites on the rectorite led to the alteration and ultimately to the destruction of the rectorite structure. The change was documented in HRTEM lattice-fringe images. The crystallization of new 2:1 layer silicates also occurred within the expandable interlayers of rectorite but not as new 2:1 silicate layers parallel to the previous 2:1 silicate layers. Instead, they grew independently of any orientation predetermined by the rectorite crystal substrate and their crystallization was responsible for the destruction of the rectorite structure.
Influence of montmorillonites exchange capacity on the basal spacing of cation–anion organo-montmorillonites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanqin, Wu; Zepeng, Zhang, E-mail: unite508@163.com; Yunhua, Wang

Graphical abstract: This picture shows the distribution of organic modifier (CTAB and SDS) in Mt interlayer and the basal spacing changes of Mt modified by CTAB and SDS. Organic modifier molecule in Mt interlayer is more and more orderly. The basal spacing of Mt is from 1.5 nm to 5 nm as modifier added. - Highlights: • The d{sub 001} of Ca-Mt, R-Na-Mt, Na-Mt modified by CTAB and SDS can reach 5 nm. • It is easier to get cation–anion OMt with greater d{sub 001} if CEC is lower. • The organic molecules distribution in cation–anion OMt was analyzed. •more » The influence mechanism of Ca-Mt CEC on the d{sub 001} was discussed. - Abstract: With cationic and anionic surfactants cetyltrimethylammonium bromide (CTAB) and sodium dodecylsulfonate (SDS) as modifiers, Ca-montmorillonites (Ca-Mt), artificial Na-montmorillonites (R-Na-Mt) and natural Na-montmorillonites (Na-Mt) with different cation exchange capacity (CEC) were modified by solution intercalation method, respectively. Then cation–anion organo-montmorillonites (OMt) were prepared. The influence of CEC on the basal spacing of cation–anion OMt and the influence mechanism were discussed by X-ray diffraction (XRD) and zeta potential testing. The results indicate that the basal spacing of cation–anion OMt is related to CEC. For the same type montmorillonites, the basal spacing of cation–anion OMt decreases with the increase of CEC and it is easier to get cation–anion OMt with greater basal spacing when CEC is lower. Moreover, the CEC of Na-Mt has the greatest influence on the basal spacing of cation–anion OMt.« less
Synergistic effect of cationic and anionic surfactants for the modification of Ca-montmorillonite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zepeng, E-mail: zhangzp@cugb.edu.cn; Zhang, Jichu; Liao, Libing, E-mail: bliao@cugb.edu.cn

2013-05-15

Highlights: ► The basal spacing of MMT–CTAB–SDS reaches 5.30 nm. ► MMT–CTAB–SDS shows perfect dispersion property and excellent heat resistance. ► SDS helped to improve the heat resistance and decrease the surface energy of the MMT–CTAB–SDS particles. - Abstract: The synergistic effect of cationic surfactant (CTAB) and anionic surfactant (SDS) for the modification of Ca-montmorillonite (Ca-MMT) has been developed, and the novel cation–anion modified organomontmorillonite (MMT–CTAB–SDS) was prepared. X-ray diffraction (XRD) analysis indicates that the interlayer spacing of montmorillonite was well expanded by the intercalation of CTAB and SDS and the basal spacing increased from 1.54 nm (Ca-MMT) to 5.30more » nm (MMT–CTAB–SDS). Thermogravimetric analysis (TG) showed that the MMT–CTAB–SDS displayed excellent heat resistance. Scanning electron microscopy (SEM) analysis proved that the MMT–CTAB–SDS exhibited excellent dispersion property and the plates with few silicate layers can be observed. Contact angle tests indicated that the hydrophilicity of MMT–CTAB–SDS was lower than that of Ca-MMT and higher than that of MMT–CTAB. It was verified that SDS contributed to expanding the interlayer space, further improved the heat resistance of the MMT–CTAB and decreased the surface energy of the MMT–CTAB–SDS particles.« less
Mapping of reciprocal space of La{sub 0.30}CoO{sub 2} in 3D: Analysis of superstructure diffractions and intergrowths with Co{sub 3}O{sub 4}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brázda, Petr, E-mail: brazda@fzu.cz; Palatinus, Lukáš; Klementová, Mariana

2015-07-15

We have used electron diffraction tomography and powder X-ray diffraction to elucidate the structural properties of layered cobaltate γ-La{sub 0.30}CoO{sub 2}. The structure consists of hexagonal sheets of edge-sharing CoO{sub 6} octahedra interleaved by lanthanum monolayers. The La{sup 3+} cations occupy only one third of available P2 sites, forming a 2-dimensional a√3×a√3 superstructure in a–b plane. The results show that there exists no order in the mutual relative shift between the neighbouring La interlayers within the a–b plane. This is manifested in the observed monotonous decrease of the diffracted intensity of the superstructure diffractions along c{sup ⁎} in both X-raymore » and electron diffraction data. The observed lack of stacking order differentiates the La{sub x}CoO{sub 2} from its Ca and Sr analogues where at least a partial stacking order of the cationic interlayers is manifested in experimental data published in literature. - Highlights: • We use electron diffraction tomography for reciprocal space mapping of La{sub 0.30}CoO{sub 2}. • We observed a complete disorder of the stacking of Lanthanum interlayers. • Co{sub 3}O{sub 4} intergrown with La{sub 0.30}CoO{sub 2} crystals brings about fake superstructure diffractions. • Twinning of Co{sub 3}O{sub 4} enhances the problem of fake superstructure diffractions.« less
Preparation and Characterization of Dabco (1,4-Diazabicyclo [2.2.2]octane) modified bentonite: Application for Congo red removal

NASA Astrophysics Data System (ADS)

Taher, Tarmizi; Rohendi, Dedi; Mohadi, Risfidian; Lesbani, Aldes

2018-01-01

Natural bentonite provided from Sarolangun deposit was modified with 1,4-Diazabicyclo[2.2.2]octane (Dabco) to form a new class of porous material. Prior further modification, the natural bentonite was cleaned up and activated by NaCl to remove the impurities and increase the bentonite nature. Dabco modified bentonite (Dabco-bent) was prepared by exchanging the inorganic cation placed in the interlayer space of the montmorillonite mineral structure with the 0.01 M Dabco1+ at pH 6. The modified bentonite products were characterized using X-Ray powder diffraction and FT-IR to monitor the change of the bentonite crystallinity and function group due to the modification process. The XRD result confirmed that during the modification process, the d(001) of smectite peak at 2q around 6° was shifted. After the modification, the d(001) reflection of the montmorillonite interlayer was shifted 0.36° to the left indicating that the interlayer space of the montmorillonite has been expanded during the modification process. The FTIR spectra of Dabco modified bentonite exhibit no significantly different with the host bentonite. However, the presence of the new band at the wavenumber around 3000 and 2800 cm-1 indicates that the Dabco molecule has been successfully inserted to the bentonite molecule. The Congo red adsorption experiment was performed onto Dabco-bent product by batch technique. The experiment data described that kinetic model for Congo red adsorption onto Dabco-bent was adequately followed the second-order kinetic model and well described by Freundlich adsorption isotherm model.
Self-Assembling of Tetradecylammonium Chain on Swelling High Charge Micas (Na-Mica-3 and Na-Mica-2): Effect of Alkylammonium Concentration and Mica Layer Charge.

PubMed

Pazos, M Carolina; Cota, Agustín; Osuna, Francisco J; Pavón, Esperanza; Alba, María D

2015-04-21

A family of tetradecylammonium micas is synthesized using synthetic swelling micas with high layer charge (Na(n)Si(8-n)Al(n)Mg6F4O20·XH2O, where n = 2 and 3) exchanged with tetradecylammonium cations. The molecular arrangement of the surfactant is elucidated on the basis of XRD patterns and DTA. The ordering conformation of the surfactant molecules into the interlayer space of micas is investigated by IR/FT, (13)C, (27)Al, and (29)Si MAS NMR. The structural arrangement of the tetradecylammonium cation in the interlayer space of high-charge micas is more sensitive to the effect of the mica layer charge at high concentration. The surfactant arrangement is found to follow the bilayer-paraffin model for all values of layer charge and surfactant concentration. However, at initial concentration below the mica CEC, a lateral monolayer is also observed. The amount of ordered conformation all-trans is directly proportional to the layer charge and surfactant concentration.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Chi; Boota, Muhammad; Urbankowski, Patrick

Restacking of two-dimensional (2D) flakes reduces the accessibility of electrolyte ions and is a problem in energy storage and other applications. Organic molecules can be used to prevent restacking and keep the interlayer space open. In this paper, we report on a combined theoretical and experimental investigation of the interaction between 2D titanium carbide (MXene), Ti 3C 2T x, and glycine. From first principle calculations, we presented the functionalization of glycine on the Ti 3C 2O 2 surface, evidenced by the shared electrons between Ti and N atoms. To experimentally validate our predictions, we synthesized flexible freestanding films of Timore » 3C 2T x/glycine hybrids. X-ray diffraction and X-ray photoelectron spectroscopy confirmed the increased interlayer spacing and possible Ti–N bonding, respectively, which agree with our theoretical predictions. Finally, the Ti 3C 2T x/glycine hybrid films exhibited an improved rate and cycling performances compared to pristine Ti 3C 2T x, possibly due to better charge percolation within expanded Ti 3C 2T x.« less
Effect of glycine functionalization of 2D titanium carbide (MXene) on charge storage

DOE PAGES

Chen, Chi; Boota, Muhammad; Urbankowski, Patrick; ...

2018-02-20

Restacking of two-dimensional (2D) flakes reduces the accessibility of electrolyte ions and is a problem in energy storage and other applications. Organic molecules can be used to prevent restacking and keep the interlayer space open. In this paper, we report on a combined theoretical and experimental investigation of the interaction between 2D titanium carbide (MXene), Ti 3C 2T x, and glycine. From first principle calculations, we presented the functionalization of glycine on the Ti 3C 2O 2 surface, evidenced by the shared electrons between Ti and N atoms. To experimentally validate our predictions, we synthesized flexible freestanding films of Timore » 3C 2T x/glycine hybrids. X-ray diffraction and X-ray photoelectron spectroscopy confirmed the increased interlayer spacing and possible Ti–N bonding, respectively, which agree with our theoretical predictions. Finally, the Ti 3C 2T x/glycine hybrid films exhibited an improved rate and cycling performances compared to pristine Ti 3C 2T x, possibly due to better charge percolation within expanded Ti 3C 2T x.« less
Montmorillonite-supported Pd0, Fe0, Cu0 and Ag0 nanoparticles: Properties and affinity towards CO2

NASA Astrophysics Data System (ADS)

Bouazizi, Nabil; Barrimo, Diana; Nousir, Saadia; Ben Slama, Romdhane; Roy, René; Azzouz, Abdelkrim

2017-04-01

This study reports the carbon dioxide (CO2) adsorption on montmorillonite (NaMt) incorporating Cu0, Fe0, Pd0 and Ag0 as metallic nanoparticles (MNPs). The changes in structural, textural, morphological and adsorption properties of the resulting materials (NaMt-MNPs) were investigated. Electron microscopy and X-ray diffraction showed that dispersion of fine MNPs occurs mainly within the interlayer space of NaMt, producing a slight structure expansion. This was accompanied by a visible enhancement of the affinity towards CO2, as supported by thermal programmed desorption measurements. NaMt-MNPs displayed high CO2 retention capacity (CRC) of ca. 657 μmol/g for NaMt-Cu as compared to NaMt. This was explained in terms of increased number of available adsorption sites due to enlarged interlayer spaces caused by MNP insertion. The differences in CO2 adsorption capacities clearly demonstrate the key role of MNPs in improving the surface properties and adsorption capacity. The results reported herein open new prospects for clay supported metal nanoparticles as efficient adsorbents for CO2.
Synthesis of (cinnamate-zinc layered hydroxide) intercalation compound for sunscreen application

PubMed Central

2013-01-01

Background Zinc layered hydroxide (ZLH) intercalated with cinnamate, an anionic form of cinnamic acid (CA), an efficient UVA and UVB absorber, have been synthesized by direct method using zinc oxide (ZnO) and cinnamic acid as the precursor. Results The resulting obtained intercalation compound, ZCA, showed a basal spacing of 23.9 Å as a result of cinnamate intercalated in a bilayer arrangement between the interlayer spaces of ZLH with estimated percentage loading of cinnamate of about 40.4 % w/w. The UV–vis absorption spectrum of the intercalation compound showed excellent UVA and UVB absorption ability. Retention of cinnamate in ZLH interlayers was tested against media usually came across with sunscreen usage to show low release over an extended period of time. MTT assay of the intercalation compound on human dermal fibroblast (HDF) cells showed cytotoxicity of ZCA to be concentration dependent and is overall less toxic than its precursor, ZnO. Conclusions (Cinnamate-zinc layered hydroxide) intercalation compound is suitable to be used as a safe and effective sunscreen with long UV protection effect. PMID:23383738
Oxygen-incorporated MoS2 microspheres with tunable interiors as novel electrode materials for supercapacitors

NASA Astrophysics Data System (ADS)

Sun, Tianhua; Li, Zhangpeng; Liu, Xiaohong; Ma, Limin; Wang, Jinqing; Yang, Shengrong

2017-06-01

In this work, a simple and facile one-step hydrothermal method is developed to synthesize oxygen-incorporated molybdenum disulphide (O-MoS2) microspheres with tunable interiors (solid, yolk-shell and hollow microstructures) by using carbon disulfide (CS2) as soft template and sulfur source simultaneously. The synthesized O-MoS2 microspheres with enlarged interlayer spacing of ca. 9.8 Å show remarkable electrochemical performances as novel electrode materials for supercapacitors (SCs). Specifically, O-MoS2 hollow microsphere exhibits optimal electrochemical performances with a high specific capacitance of 744.2 F g-1 at a current density of 1 A g-1 and a good cycling stability with ca. 77.8% capacitance retention after 10 K continuous charge-discharge cycles at a high current density of 5 A g-1, thus making it a promising electrode material for high-performance SCs. The excellent electrochemical performances are mainly attributed to the enlarged interlayer spacing and the reduced band gap owing to the oxygen incorporation in MoS2 and the hollow microstructure.
Crystal Structure Variations of Sn Nanoparticles upon Heating

NASA Astrophysics Data System (ADS)

Mittal, Jagjiwan; Lin, Kwang-Lung

2018-04-01

Structural changes in Sn nanoparticles during heating below the melting point have been investigated using differential scanning calorimetry (DSC), x-ray diffraction (XRD) analysis, electron diffraction (ED), and high-resolution transmission electron microscopy (HRTEM). DSC revealed that the heat required to melt the nanoparticles (28.43 J/g) was about half compared with Sn metal (52.80 J/g), which was attributed to the large surface energy contribution for the nanoparticles. ED and XRD analyses of the Sn nanoparticles revealed increased intensity for crystal planes having large interplaner distances compared with regular crystal planes with increasing heat treatment temperature (HTT). HRTEM revealed an increase in interlayer spacing at the surface and near joints between nanoparticles with the HTT, leading to an amorphous structure of nanoparticles at the surface at 220°C. These results highlight the changes that occur in the morphology and crystal structure of Sn nanoparticles at the surface and in the interior with increase of the heat treatment temperature.
Influence of smectite hydration and swelling on atrazine sorption behavior.

PubMed

Chappell, Mark A; Laird, David A; Thompson, Michael L; Li, Hui; Teppen, Brian J; Aggarwal, Vaneet; Johnston, Cliff T; Boyd, Stephen A

2005-05-01

Smectites, clay minerals commonly found in soils and sediments, vary widely in their ability to adsorb organic chemicals. Recent research has demonstrated the importance of surface charge density and properties of exchangeable cations in controlling the affinity of smectites for organic molecules. In this study, we induced hysteresis in the crystalline swelling of smectites to test the hypothesis that the extent of crystalline swelling (or interlayer hydration status) has a large influence on the ability of smectites to adsorb atrazine from aqueous systems. Air-dried K-saturated Panther Creek (PC) smectite swelled less (d(001) = 1.38 nm) than never-dried K-PC (d(001) = 1.7 nm) when rehydrated in 20 mM KCl. Correspondingly, the air-dried-rehydrated K-PC had an order of magnitude greater affinity for atrazine relative to the never-dried K-PC. Both air-dried-rehydrated and never-dried Ca-PC expanded to approximately 2.0 nm in 10 mM CaCl2 and both samples had similar affinities for atrazine that were slightly lower than that of never-dried K-PC. The importance of interlayer hydration status in controlling sorption affinity was confirmed by molecular modeling, which revealed much greater interaction between interlayer water molecules and atrazine in a three-layer hydrate relative to a one-layer hydrate. The entropy change on moving atrazine from a fully hydrated state in the bulk solution to a partially hydrated state in the smectite interlayers is believed to be a major factor influencing sorption affinity. In an application test, choice of background solution (20 mM KCl versus 10 mM CaCl2) and air-drying treatments significantly affected atrazine sorption affinities for three-smectitic soils; however, the trends were not consistent with those observed for the reference smectite. Further, extending the initial rehydration time from 24 to 240 h (prior to adding atrazine) significantly decreased the soil's sorption affinity for atrazine. We conclude that interlayer hydration status has a large influence on the affinity of smectites for atrazine and that air-drying treatments have the potential to modify the sorption affinity of smectitic soils for organic molecules such as atrazine.
The fabrication, testing and delivery of boron/epoxy and graphite/epoxy nondestructive test standards

NASA Technical Reports Server (NTRS)

Pless, W. M.; Lewis, W. H.

1971-01-01

A description is given of the boron/epoxy and graphite/epoxy nondestructive test standards which were fabricated, tested and delivered to the National Aeronautics and Space Administration. Detailed design drawings of the standards are included to show the general structures and the types and location of simulated defects built into the panels. The panels were laminates with plies laid up in the 0 deg, + or - 45 deg, and 90 deg orientations and containing either titanium substrates or interlayered titanium perforated shims. Panel thickness was incrementally stepped from 2.36 mm (0.093 in.) to 12.7 mm (0.500 in.) for the graphite/epoxy standards, and from 2.36 mm (0.093 in.) to 6.35 mm (0.25 in.) for the boron/epoxy standards except for the panels with interlayered shims which were 2.9 mm (0.113 in.) maximum thickness. The panel internal conditions included defect free regions, resin variations, density/porosity variations, cure variations, delaminations/disbonds at substrate bondlines and between layers, inclusions, and interlayered shims. Ultrasonic pulse echo C-scan and low-kilovoltage X-ray techniques were used to evaluate and verify the internal conditions of the panels.
Development of antiproliferative nanohybrid compound with controlled release property using ellagic acid as the active agent

PubMed Central

Hussein, Mohd Zobir; Al Ali, Samer Hasan; Zainal, Zulkarnain; Hakim, Muhammad Nazrul

2011-01-01

An ellagic acid (EA)–zinc layered hydroxide (ZLH) nanohybrid (EAN) was synthesized under a nonaqueous environment using EA and zinc oxide (ZnO) as the precursors. Powder X-ray diffraction showed that the basal spacing of the nanohybrid was 10.4 Å, resulting in the spatial orientation of EA molecules between the interlayers of 22.5° from z-axis with two negative charges at 8,8′ position of the molecules pointed toward the ZLH interlayers. FTIR study showed that the intercalated EA spectral feature is generally similar to that of EA, but with bands slightly shifted. This indicates that some chemical bonding of EA presence between the nanohybrid interlayers was slightly changed, due to the formation of host–guest interaction. The nanohybrid is of mesopores type with 58.8% drug loading and enhanced thermal stability. The release of the drug active, EA from the nanohybrid was found to be sustained and therefore has good potential to be used as a drug controlled-release formulation. In vitro bioassay study showed that the EAN has a mild effect on the hepatocytes cells, similar to its counterpart, free EA. PMID:21796241
Carbon dioxide intercalation in Na-fluorohectorite clay at near-ambient conditions

NASA Astrophysics Data System (ADS)

Fossum, Jon Otto; Hemmen, Henrik; Rolseth, Erlend G.; Fonseca, Davi; Lindbo Hansen, Elisabeth; Plivelic, Tomas

2012-02-01

A molecular dynamics study by Cygan et al.[1] shows the possibility of intercalation and retention of CO2 in smectite clays at 37 ^oC and 200 bar, which suggests that clay minerals may prove suitable for carbon capture and carbon dioxide sequestration. In this work we show from x-ray diffraction measurements that gaseous CO2 intercalates into the interlayer space of the synthetic smectite clay Na-fluorohectorite. The mean interlayer distance of the clay when CO2 is intercalated is 12.5 å at -20 C and 15 bar. The magnitude of the expansion of the interlayer upon intercalation is indistinguishable from that of the dehydrated-monohydrated intercalation of H2O, but this possibility is ruled out by careful repeating the measurements exposing the clay to nitrogen gas. The dynamics of the CO2 intercalation process displays a higher intercalation rate at increased pressure, and the rate is several orders of magnitude slower than that of water or vapor at ambient pressure and temperature.[4pt] [1] Cygan, R. T.; Romanov, V. N.; Myshakin, E. M. Natural materials for carbon capture; Techincal report SAND2010-7217; Sandia National Laboratories: Albuquerque, New Mexico, November, 2010.
Composition driven monolayer to bilayer transformation in a surfactant intercalated Mg-Al layered double hydroxide.

PubMed

Naik, Vikrant V; Chalasani, Rajesh; Vasudevan, S

2011-03-15

The structure and organization of dodecyl sulfate (DDS) surfactant chains intercalated in an Mg-Al layered double hydroxide (LDH), Mg(1-x)Alx(OH)2, with differing Al/Mg ratios has been investigated. The Mg-Al LDHs can be prepared over a range of compositions with x varying from 0.167 to 0.37 and therefore provides a simple system to study how the organization of the alkyl chains of the intercalated DDS anions change with packing density; the Al/Mg ratio or x providing a convenient handle to do so. Powder X-ray diffraction measurements showed that at high packing densities (x ≥ 0.3) the alkyl chains of the intercalated dodecyl sulfate ions are anchored on opposing LDH sheets and arranged as bilayers with an interlayer spacing of ∼27 Å. At lower packing densities (x < 0.2) the surfactant chains form a monolayer with the alkyl chains oriented flat in the galleries with an interlayer spacing of ∼8 Å. For the in between compositions, 0.2 ≤ x < 0.3, the material is biphasic. MD simulations were performed to understand how the anchoring density of the intercalated surfactant chains in the Mg-Al LDH-DDS affects the organization of the chains and the interlayer spacing. The simulations are able to reproduce the composition driven monolayer to bilayer transformation in the arrangement of the intercalated surfactant chains and in addition provide insights into the factors that decide the arrangement of the surfactant chains in the two situations. In the bilayer arrangement, it is the dispersive van der Waals interactions between chains in opposing layers of the anchored bilayer that is responsible for the cohesive energy of the solid whereas at lower packing densities, where a monolayer arrangement is favored, Coulomb interactions between the positively charged Mg-Al LDH sheets and the negatively charged headgroup of the DDS anion dominate.
Strengthened PAN-based carbon fibers obtained by slow heating rate carbonization.

PubMed

Kim, Min-A; Jang, Dawon; Tejima, Syogo; Cruz-Silva, Rodolfo; Joh, Han-Ik; Kim, Hwan Chul; Lee, Sungho; Endo, Morinobu

2016-03-23

Large efforts have been made over the last 40 years to increase the mechanical strength of polyacrylonitrile (PAN)-based carbon fibers (CFs) using a variety of chemical or physical protocols. In this paper, we report a new method to increase CFs mechanical strength using a slow heating rate during the carbonization process. This new approach increases both the carbon sp(3) bonding and the number of nitrogen atoms with quaternary bonding in the hexagonal carbon network. Theoretical calculations support a crosslinking model promoted by the interstitial carbon atoms located in the graphitic interlayer spaces. The improvement in mechanical performance by a controlled crosslinking between the carbon hexagonal layers of the PAN based CFs is a new concept that can contribute further in the tailoring of CFs performance based on the understanding of their microstructure down to the atomic scale.
Optical properties of stanene

NASA Astrophysics Data System (ADS)

Pratap Chaudhary, Raghvendra; Saxena, Sumit; Shukla, Shobha

2016-12-01

Successful synthesis of graphene has created a runaway effect in the exploration of other similar two-dimensional materials. These materials are important as they provide large surface areas and have led to the exploration of new physical phenomena. Even though graphene has exotic electronic properties, its spin-orbit coupling is very weak. Tin, being one of the heaviest elements in this group, is expected to have enhanced spin-orbit coupling in addition to other exotic properties of graphene. Here we report optical signatures of free standing stanene obtained using UV-vis absorption spectroscopy. Raman measurements were performed on a transmission electron microscope (TEM) grid. Interlayer spacing, phonon frequencies and the imaginary part of the complex dielectric function obtained using first principles methods are in good agreement with the experimental data. Occurrence of parallel bands suggests the possibility of the presence of excitonic effects in stanene.

Giant magnetoresistance in perpendicularly magnetized synthetic antiferromagnetic coupling with Ir spacer

NASA Astrophysics Data System (ADS)

Fukushima, A.; Taniguchi, T.; Sugihara, A.; Yakushiji, K.; Kubota, H.; Yuasa, S.

2018-05-01

Perpendicularly magnetized magnetic tunnel junction (p-MTJ) is a key element for developing high-density spin-transfer torque switching magnetoresistive random access memory. Recently, a large exchange coupling (IEC) in the synthetic antiferromagnetic reference layer with Ir interlayer was observed in p-MTJs. The evaluation of the IEC is, however, difficult due to the electrostatic breakdown of MTJs. This study demonstrates the evaluation of the IEC with Ir interlayer in giant magnetoresistive (GMR) nanopillar. We fabricated three kinds of perpendicularly magnetized GMR elements; bottom-free structures with Cu or Ir spacer, and top-free structure with Ir spacer. The magnetoresistance (RH) loops of all samples show sharp changes of the magnetoresistance at the magnetic fields over ±10 kOe, indicating the existence of the large IECs. In particular, a sharp change of the magnetoresistance at the field over ±20 kOe was found for the element with Cu of 2 nm thickness.
Collective Structural Changes in Vermiculite Clay Suspensions Induced by Cesium Ions

NASA Astrophysics Data System (ADS)

Motokawa, Ryuhei; Endo, Hitoshi; Yokoyama, Shingo; Nishitsuji, Shotaro; Kobayashi, Tohru; Suzuki, Shinichi; Yaita, Tsuyoshi

2014-10-01

Following the Fukushima Daiichi nuclear disaster in 2011, Cs radioisotopes have been dispersed over a wide area. Most of the Cs has remained on the surface of the soil because Cs+ is strongly adsorbed in the interlayer spaces of soil clays, particularly vermiculite. We have investigated the microscopic structure of an aqueous suspension of vermiculite clay over a wide length scale (1-1000 Å) by small-angle X-ray scattering. We determined the effect of the adsorption behavior of Cs+ on the structural changes in the clay. It was found that the abruption of the clay sheets was induced by the localization of Cs+ at the interlayer. This work provides important information for predicting the environmental fate of radioactive Cs in polluted areas, and for developing methods to extract Cs from the soil and reduce radioactivity.
Strong Localization of Anionic Electrons at Interlayer for Electrical and Magnetic Anisotropy in Two-Dimensional Y2C Electride.

PubMed

Park, Jongho; Lee, Kimoon; Lee, Seung Yong; Nandadasa, Chandani N; Kim, Sungho; Lee, Kyu Hyoung; Lee, Young Hee; Hosono, Hideo; Kim, Seong-Gon; Kim, Sung Wng

2017-01-18

We have synthesized a single crystalline Y 2 C electride of centimeter-scale by floating-zone method and successfully characterized its anisotropic electrical and magnetic properties. In-plane resistivity upturn at low temperature together with anisotropic behavior of negative magnetoresistance is ascribed to the stronger suppression of spin fluctuation along in-plane than that along the c-axis, verifying the existence of magnetic moments preferred for the c-axis. A superior magnetic moment along the c-axis to that along the in-plane direction strongly demonstrates the anisotropic magnetism of Y 2 C electride containing a magnetically easy axis. It is clarified from the theoretical calculations that the anisotropic nature of the Y 2 C electride originates from strongly localized anionic electrons with an inherent magnetic anisotropy in the interlayer spaces.
Molecular dynamics simulation of polyacrylamides in potassium montmorillonite clay hydrates

NASA Astrophysics Data System (ADS)

Zhang, Junfang; Rivero, Mayela; Choi, S. K.

2007-02-01

We present molecular dynamics simulation results for polyacrylamide in potassium montmorillonite clay-aqueous systems. Interlayer molecular structure and dynamics properties are investigated. The number density profile, radial distribution function, root-mean-square deviation (RMSD), mean-square displacement (MSD) and diffusion coefficient are reported. The calculations are conducted in constant NVT ensembles, at T = 300 K and with layer spacing of 40 Å. Our simulation results showed that polyacrylamides had little impact on the structure of interlayer water. Density profiles and radial distribution function indicated that hydration shells were formed. In the presence of polyacrylamides more potassium counterions move close to the clay surface while water molecules move away, indicating that potassium counterions are hydrated to a lesser extent than the system in which no polyacrylamides were added. The diffusion coefficients for potassium and water decreased when polyacrylamides were added.
A highly sensitive and flexible pressure sensor with electrodes and elastomeric interlayer containing silver nanowires.

PubMed

Wang, Jun; Jiu, Jinting; Nogi, Masaya; Sugahara, Tohru; Nagao, Shijo; Koga, Hirotaka; He, Peng; Suganuma, Katsuaki

2015-02-21

The next-generation application of pressure sensors is gradually being extended to include electronic artificial skin (e-skin), wearable devices, humanoid robotics and smart prosthetics. In these advanced applications, high sensing capability is an essential feature for high performance. Although surface patterning treatments and some special elastomeric interlayers have been applied to improve sensitivity, the process is complex and this inevitably raises the cost and is an obstacle to large-scale production. In the present study a simple printing process without complex patterning has been used for constructing the sensor, and an interlayer is employed comprising elastomeric composites filled with silver nanowires. By increasing the relative permittivity, εr, of the composite interlayer induced by compression at high nanowire concentration, it has been possible to achieve a maximum sensitivity of 5.54 kPa(-1). The improvement in sensitivity did not sacrifice or undermine the other features of the sensor. Thanks to the silver nanowire electrodes, the sensor is flexible and stable after 200 cycles at a bending radius of 2 mm, and exhibits outstanding reproducibility without hysteresis under similar pressure pulses. The sensor has been readily integrated onto an adhesive bandage and has been successful in detecting human movements. In addition to measuring pressure in direct contact, non-contact pressures such as air flow can also be detected.
Effects of NH4+, K+, Mg2+, and Ca2+ on the Cesium Adsorption/Desorption in Binding Sites of Vermiculitized Biotite.

PubMed

Yin, Xiangbiao; Wang, Xinpeng; Wu, Hao; Takahashi, Hideharu; Inaba, Yusuke; Ohnuki, Toshihiko; Takeshita, Kenji

2017-12-05

The reversibility of cesium adsorption in contaminated soil is largely dependent on its interaction with micaceous minerals, which may be greatly influenced by various cations. Herein, we systematically investigated the effects of NH 4 + , K + , Mg 2+ , and Ca 2+ on the adsorption/desorption of Cs + into different binding sites of vermiculitized biotite (VB). Original VB was initially saturated by NH 4 + , K + , or Mg 2+ ; we then evaluated the adsorption of Cs + on three treated VBs, and the desorption by extraction with NH 4 + , K + , Mg 2+ , or Ca 2+ was further evaluated. Our structural analysis and Cs + extractability determinations showed that NH 4 + and K + both collapsed the interlayers of VB, resulting in the dominant adsorption of Cs + to external surface sites on which Cs + was readily extracted by NH 4 + , K + , Mg 2+ , or Ca 2+ irrespective of their species, whereas Mg 2+ maintained the VB with expanded interlayers, leading to the overwhelming adsorption of Cs + in collapsed interlayer sites on which the Cs + desorption was difficult and varied significantly by the cations used in extraction. The order of Cs + extraction ability from the collapsed interlayers was K + ≫ Mg 2+ ≈ Ca 2+ ≫ NH 4 + . These results could provide important insights into Cs migration in soil and its decontamination for soil remediation.
2D Perovskites with Short Interlayer Distance for High-Performance Solar Cell Application.

PubMed

Ma, Chunqing; Shen, Dong; Ng, Tsz-Wai; Lo, Ming-Fai; Lee, Chun-Sing

2018-05-01

2D perovskites have emerged as one of the most promising photovoltaic materials owing to their excellent stability compared with their 3D counterparts. However, in typical 2D perovskites, the highly conductive inorganic layers are isolated by large organic cations leading to quantum confinement and thus inferior electrical conductivity across layers. To address this issue, the large organic cations are replaced with small propane-1,3-diammonium (PDA) cations to reduce distance between the inorganic perovskite layers. As shown by optical characterizations, quantum confinement is no longer dominating in the PDA-based 2D perovskites. This leads to considerable enhancement of charge transport as confirmed with electrochemical impedance spectroscopy, time-resolved photoluminescence, and mobility measurements. The improved electric properties of the interlayer-engineered 2D perovskites yield a power conversion efficiency of 13.0%. Furthermore, environmental stabilities of the PDA-based 2D perovskites are improved. PDA-based 2D perovskite solar cells (PSCs) with encapsulation can retain over 90% of their efficiency upon storage for over 1000 h, and PSCs without encapsulation can maintain their initial efficiency at 70 °C for over 100 h, which exhibit promising stabilities. These results reveal excellent optoelectronic properties and intrinsic stabilities of the layered perovskites with reduced interlayer distance. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Plasma sprayed ceria-containing interlayer

DOEpatents

Schmidt, Douglas S.; Folser, George R.

2006-01-10

A plasma sprayed ceria-containing interlayer is provided. The interlayer has particular application in connection with a solid oxide fuel cell used within a power generation system. The fuel cell advantageously comprises an air electrode, a plasma sprayed interlayer disposed on at least a portion of the air electrode, a plasma sprayed electrolyte disposed on at least a portion of the interlayer, and a fuel electrode applied on at least a portion of the electrolyte.
Preparation of hippurate-zinc layered hydroxide nanohybrid and its synergistic effect with tamoxifen on HepG2 cell lines

PubMed Central

Ali, Samer Hasan Hussein Al; Al-Qubaisi, Mothanna; Hussein, Mohd Zobir; Zainal, Zulkarnain; Hakim, Muhammad Nazrul

2011-01-01

Background A new simple preparation method for a hippurate-intercalated zinc-layered hydroxide (ZLH) nanohybrid has been established, which does not need an anion-exchange procedure to intercalate the hippurate anion into ZLH interlayers. Methods The hippuric acid nanohybrid (HAN) was prepared by direct reaction of an aqueous suspension of zinc oxide with a solution of hippuric acid via a one-step method. Results The basal spacing of the nanohybrid was 21.3 Å, indicating that the hippurate anion was successfully intercalated into the interlayer space of ZLH, and arranged in a monolayer fashion with the carboxylate group pointing toward the ZLH inorganic interlayers. A Fourier transform infrared study confirmed the formation of the nanohybrid, while thermogravimetry and differential thermogravimetry analyses showed that the thermal stability of the nanohybrid was markedly enhanced. The loading of hippurate in the nanohybrid was estimated to be about 38.7% (w/w), and the release of hippurate from the nanohybrid was of a controlled manner, and therefore the resulting material was suitable for use as a controlled-release formulation. HAN has synergistic properties with tamoxifen toward a HepG2 cell line, with an IC50 value of 0.35 compared with hippurate. In the antiproliferative assay, the ratio of viable cells account for cells treated by the combination tamoxifen with HAN to untreated cells was sharply reduced from 66% to 13% after 24 and 72 hours, respectively. Conclusion The release of hippuric acid anions from HAN occurred in a controlled manner, and the resulting material is suitable for a controlled-release formulation. PMID:22163163
Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements

NASA Astrophysics Data System (ADS)

Denis, Pablo A.; Iribarne, Federico

2016-08-01

4p/2p dual-doped monolayer and bilayer graphene were studied via first principle calculations. Generally, dopants prefer to be agglomerated. A second dopant significantly reduces formation energies. Thus, partially reduced graphene oxide would favor substitutional doping by facilitating the introduction of the 4p dopants. Dual-doping can tune the band gap from 0.1 to 0.8 eV. For bilayer graphene, large atomic radii elements (Gallium and Germanium) form interlayer bonds with the undoped sheet. For some dual-doped graphenes, interlayer GaC and GeC bonds were formed, increasing the chemical reactivity of the undoped layer and affecting its electronic structure, with metallic or semiconducting characters observed.
Viscoelastic Waves Simulation in a Blocky Medium with Fluid-Saturated Interlayers Using High-Performance Computing

NASA Astrophysics Data System (ADS)

Sadovskii, Vladimir; Sadovskaya, Oxana

2017-04-01

A thermodynamically consistent approach to the description of linear and nonlinear wave processes in a blocky medium, which consists of a large number of elastic blocks interacting with each other via pliant interlayers, is proposed. The mechanical properties of interlayers are defined by means of the rheological schemes of different levels of complexity. Elastic interaction between the blocks is considered in the framework of the linear elasticity theory [1]. The effects of viscoelastic shear in the interblock interlayers are taken into consideration using the Pointing-Thomson rheological scheme. The model of an elastic porous material is used in the interlayers, where the pores collapse if an abrupt compressive stress is applied. On the basis of the Biot equations for a fluid-saturated porous medium, a new mathematical model of a blocky medium is worked out, in which the interlayers provide a convective fluid motion due to the external perturbations. The collapse of pores is modeled within the generalized rheological approach, wherein the mechanical properties of a material are simulated using four rheological elements. Three of them are the traditional elastic, viscous and plastic elements, the fourth element is the so-called rigid contact [2], which is used to describe the behavior of materials with different resistance to tension and compression. Thermodynamic consistency of the equations in interlayers with the equations in blocks guarantees fulfillment of the energy conservation law for a blocky medium in a whole, i.e. kinetic and potential energy of the system is the sum of kinetic and potential energies of the blocks and interlayers. As a result of discretization of the equations of the model, robust computational algorithm is constructed, that is stable because of the thermodynamic consistency of the finite difference equations at a discrete level. The splitting method by the spatial variables and the Godunov gap decay scheme are used in the blocks, the dissipationless finite difference Ivanov scheme is applied in the interlayers. The parallel program is designed, using the MPI technology. By means of this software, nonlinear wave processes in the case of initial rotation of the central block in a rock mass as well as in the case of concentrated couple stress load, applied at the boundary of a rock mass, are analyzed. Results of computations on the multiprocessor computer systems demonstrate the strong anisotropy of a blocky medium. This work was supported by the Complex Fundamental Research Program no. II.2P "Integration and Development" of Siberian Branch of the Russian Academy of Sciences. References 1. Sadovskii V.M., Sadovskaya O.V. Modeling of Elastic Waves in a Blocky Medium Based on Equations of the Cosserat Continuum // Wave Motion. 2015. V. 52. P. 138-150. 2. Sadovskaya O., Sadovskii V. Mathematical Modeling in Mechanics of Granular Materials. Ser.: Advanced Structured Materials, V. 21. Heidelberg - New York - Dordrecht - London, Springer, 2012. 390 p.
Twisted MoSe 2 bilayers with variable local stacking and interlayer coupling revealed by low-frequency Raman spectroscopy

DOE PAGES

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan; ...

2016-01-14

Unique twisted bilayers of MoSe 2 with multiple stacking orientations and interlayer couplings in the narrow range of twist angles, 60 ± 3°, are revealed by low-frequency Raman spectroscopy and theoretical analysis. The slight deviation from 60 allows the concomitant presence of patches featuring all three high-symmetry stacking configurations (2H or AA', AB', A'B) in one unique bilayer system. In this case, the periodic arrangement of the patches and their size strongly depend on the twist angle. Ab initio modeling predicts significant changes in frequencies and intensities of low-frequency modes versus stacking and twist angle. Experimentally, the variable stacking andmore » coupling across the interface is revealed by the appearance of two breathing modes corresponding to the mixture of the high-symmetry stacking configurations and unaligned regions of monolayers. Only one breathing mode is observed outside the narrow range of twist angles. This indicates a stacking transition to unaligned monolayers with mismatched atom registry without the in-plane restoring force required to generate a shear mode. As a result, the variable interlayer coupling and spacing in transition metal dichalcogenide bilayers revealed in this study may provide a new platform for optoelectronic applications of these materials.« less
Twisted MoSe 2 bilayers with variable local stacking and interlayer coupling revealed by low-frequency Raman spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Puretzky, Alexander A.; Liang, Liangbo; Li, Xufan

Unique twisted bilayers of MoSe 2 with multiple stacking orientations and interlayer couplings in the narrow range of twist angles, 60 ± 3°, are revealed by low-frequency Raman spectroscopy and theoretical analysis. The slight deviation from 60 allows the concomitant presence of patches featuring all three high-symmetry stacking configurations (2H or AA', AB', A'B) in one unique bilayer system. In this case, the periodic arrangement of the patches and their size strongly depend on the twist angle. Ab initio modeling predicts significant changes in frequencies and intensities of low-frequency modes versus stacking and twist angle. Experimentally, the variable stacking andmore » coupling across the interface is revealed by the appearance of two breathing modes corresponding to the mixture of the high-symmetry stacking configurations and unaligned regions of monolayers. Only one breathing mode is observed outside the narrow range of twist angles. This indicates a stacking transition to unaligned monolayers with mismatched atom registry without the in-plane restoring force required to generate a shear mode. As a result, the variable interlayer coupling and spacing in transition metal dichalcogenide bilayers revealed in this study may provide a new platform for optoelectronic applications of these materials.« less
Origin of the OH vibrational blue shift in the LiOH crystal.

PubMed

Hermansson, Kersti; Gajewski, Grzegorz; Mitev, Pavlin D

2008-12-25

The O-H vibrational frequency in crystalline hydroxides is either upshifted or downshifted by its crystalline surroundings. In the LiOH crystal, the experimental gas-to-solid O-H frequency upshift ("blue shift") is approximately +115 cm(-1). Here plane-wave DFT calculations for the isotope-isolated LiOH crystal have been performed and we discuss the origin of the OH frequency upshift, and the nature of the OH group and the interlayer interactions. We find that (1) the vibrational frequency upshift originates from interactions within the LiOH layer; this OH upshift is slightly lessened by the interlayer interactions; (2) the interlayer O-H - - - H-O interaction is largely electrostatic in character (but there is no hydrogen bonding); (3) the gas-to-solid vibrational shift for OH in LiOH(s) and its subsystems qualitatively adheres to a parabola-like "frequency vs electric field strength" correlation curve, which has a maximum for a positive electric field, akin to the correlation curve earlier found in the literature for an isolated OH(-) ion in an electric field.
Dual-gated MoS2/WSe2 van der Waals tunnel diodes and transistors.

PubMed

Roy, Tania; Tosun, Mahmut; Cao, Xi; Fang, Hui; Lien, Der-Hsien; Zhao, Peida; Chen, Yu-Ze; Chueh, Yu-Lun; Guo, Jing; Javey, Ali

2015-02-24

Two-dimensional layered semiconductors present a promising material platform for band-to-band-tunneling devices given their homogeneous band edge steepness due to their atomically flat thickness. Here, we experimentally demonstrate interlayer band-to-band tunneling in vertical MoS2/WSe2 van der Waals (vdW) heterostructures using a dual-gate device architecture. The electric potential and carrier concentration of MoS2 and WSe2 layers are independently controlled by the two symmetric gates. The same device can be gate modulated to behave as either an Esaki diode with negative differential resistance, a backward diode with large reverse bias tunneling current, or a forward rectifying diode with low reverse bias current. Notably, a high gate coupling efficiency of ∼80% is obtained for tuning the interlayer band alignments, arising from weak electrostatic screening by the atomically thin layers. This work presents an advance in the fundamental understanding of the interlayer coupling and electron tunneling in semiconductor vdW heterostructures with important implications toward the design of atomically thin tunnel transistors.
Efficient Interlayer Relaxation and Transition of Excitons in Epitaxial and Non-epitaxial MoS2/WS2 Heterostructures

DOE PAGES

Yu, Yifei; Hu, Shi; Su, Liqin; ...

2014-12-03

Semiconductor heterostructurs provide a powerful platform for the engineering of excitons. Here we report on the excitonic properties of two-dimensional (2D) heterostructures that consist of monolayer MoS2 and WS2 stacked epitaxially or non-epitaxially in the vertical direction. We find similarly efficient interlayer relaxation and transition of excitons in both the epitaxial and non-epitaxial heterostructures. This is manifested by a two orders of magnitude decrease in the photoluminescence and an extra absorption peak at low energy region of both heterostructures. The MoS2/WS2 heterostructures show weak interlayer coupling and essentially act as an atomic-scale heterojunction with the intrinsic band structures of themore » two monolayers largely preserved. They are particularly promising for the applications that request efficient dissociation of excitons and strong light absorption, including photovoltaics, solar fuels, photodetectors, and optical modulators. Our results also indicate that 2D heterostructures promise to provide capabilities to engineer excitons from the atomic level without concerns of interfacial imperfection.« less
Tempo-spatially resolved dynamics of elec- trons and holes in bilayer MoS2 -WS2

NASA Astrophysics Data System (ADS)

Galicia-Hernandez, J. M.; Turkowski, V.; Hernandez-Cocoletzi, G.; Rahman, T. S.

We have performed a Density-Matrix Time-Dependent Density-Functional Theory analysis of the response of bilayer MoS2-WS2 to external laser-pulse perturbations. Time-resolved study of the dynamics of electrons and holes, including formation and dissociation of strongly-bound intra- and inter-layer excitonic states, shows that the experimentally observed ultrafast inter-layer MoS2 to WS2 migration of holes may be attributed to unusually large delocalization of the hole state which extends far into the inter-layer region. We also argue that the velocity of the hole transfer may be further enhanced by its interaction with transfer phonon modes. We analyze other possible consequences of the hole delocalization in the system, including reduction of the effects of the electron-electron and hole-hole repulsion in the trions and biexcitons as compared to that in the monolayers Work supported in part by DOE Grant No. DOE-DE-FG02-07ER46354 and by CONACYT Scholarship No. 23210 (J.M.G.H.).
Facile synthesis and electrochemical properties of continuous porous spheres assembled from defect-rich, interlayer-expanded, and few-layered MoS2/C nanosheets for reversible lithium storage

NASA Astrophysics Data System (ADS)

Chen, Biao; Lu, Huihui; Zhao, Naiqin; Shi, Chunsheng; Liu, Enzuo; He, Chunnian; Ma, Liying

2018-05-01

Hollow or continuous porous hierarchical MoS2/C structures with large Li-ion and electron transport kinetics, and high structural stability are urgent needs for their application in lithium ion batteries. In this regard, a novel continuous porous micro-sphere constructed from defect-rich, interlayer-expanded, and few-layered MoS2/C nanosheets is successfully synthesized through a facile one-pot hydrothermal method. The polyvinyl pyrrolidone surfactant serves as carbon source and supporter, while the CS2 works as soft template and sulfur source during hydrothermal process. The morphologies, structures, and electrochemical properties are systematically characterized. Importantly, it should be noted that the unique porous micro-spheres with merits of rich-defect, expanded-interlayer, few-layer (<5 layers), abundant pores and integrating carbon are favorable for lithium ion batteries application. When the uniform composites are used as lithium ion batteries anode materials, they deliver a high reversible capacity, excellent cycling performance (average capacity fading of 0.037% per cycle at 0.2 A g-1), and good rate capability.
Domain-wall motion at an ultrahigh speed driven by spin-orbit torque in synthetic antiferromagnets.

PubMed

Yu, Ziyang; Zhang, Yue; Zhang, Zhenhua; Cheng, Ming; Lu, Zhihong; Yang, Xiaofei; Shi, Jing; Xiong, Rui

2018-04-27

In this article, we present our numerical investigation about the spin-orbit-torque induced domain-wall (DW) motion in a synthetic antiferromagnetic multilayer nanotrack. This nanotrack was composed by two ferromagnetic (FM) layers with a RKKY inter-layer antiferromagnetic (AFM) exchange coupling. The velocity of DW was well manipulated by varying parameters including inter-layer exchange constant, the Dzyaloshinskii-Moriya interaction (DMI) strength, the current density and the magnetic anisotropy. The DW velocity was found to be strictly related to the orientation of the moments in the two FM layers. When the interlayer exchange constant or the DMI constant were larger than a critical value, there was a large angle between the moments in one FM layer and that in the other one under the current, and the DW was driven to move at an ultrahigh speed (around 10 000 m s -1 ). However, when the DMI or the AFM exchange coupling was weaker than the critical value, the moments in one FM layer were parallel to that in the other one under the current, and the velocity was significantly reduced.
Synthesis and Characterization of a Layered Manganese Oxide: Materials Chemistry for the Inorganic or Instrumental Methods Lab

ERIC Educational Resources Information Center

Ching, Stanton; Neupane, Ram P.; Gray, Timothy P.

2006-01-01

A three-week laboratory project involving synthesis and characterization of a layered manganese oxide provides an excellent vehicle for teaching important concepts of inorganic chemistry and instrumental methods related to non-molecular systems. Na-birnessite is an easily prepared manganese oxide with a 7 A interlayer spacing and Na[superscript +]…

Nature of the Interlayer Environment in an Organoclay Optimized for the Sequestration of Dibenzo-p-dioxin

EPA Science Inventory

A Na-smectite clay (Na-SWy-2) was exchanged with various amounts of dimethyldioctadecylammonium bromide (DODA-Br) up to twice the cation exchange capacity (CEC). The organoclay (DODA - SWy-2) with DODA-Br added at 2 X CEC exhibited a maximum 4.2 nm d-spacing and a 31.4% c...
In situ temperature measurements of reaction spaces under microwave irradiation using photoluminescent probes.

PubMed

Ano, Taishi; Kishimoto, Fuminao; Sasaki, Ryo; Tsubaki, Shuntaro; Maitani, Masato M; Suzuki, Eiichi; Wada, Yuji

2016-05-11

We demonstrate two novel methods for the measurement of the temperatures of reaction spaces locally heated by microwaves, which have been applied here to two example systems, i.e., BaTiO3 particles covered with a SiO2 shell (BaTiO3-SiO2) and layered tungstate particles. Photoluminescent (PL) probes showing the temperature-sensitivity in their PL lifetimes are located in the nanospaces of the above systems. In the case of BaTiO3-SiO2 core-shell particles, rhodamine B is loaded into the mesopores of the SiO2 shell covering the BaTiO3 core, which generates the heat through the dielectric loss of microwaves. The inner nanospace temperature of the SiO2 shell is determined to be 28 °C higher than the bulk temperature under microwave irradiation at 24 W. On the other hand, Eu(3+) is immobilized in the interlayer space of layered tungstate as the PL probe, showing that the nanospace temperature of the interlayer is only 4 °C higher than the bulk temperature. This method for temperature-measurement is powerful for controlling microwave heating and elucidates the ambiguous mechanisms of microwave special effects often observed in chemical reactions, contributing greatly to the practical application of microwaves in chemistry and materials sciences.
Synthesis and characterization of Mg-Al-layered double hydroxides intercalated with cubane-1,4-dicarboxylate anions.

PubMed

Rezvani, Zolfaghar; Arjomandi Rad, Farzad; Khodam, Fatemeh

2015-01-21

In the present work, Mg2Al-layered double hydroxide (LDH) intercalated with cubane-1,4-dicarboxylate anions was prepared from the reaction of solutions of Mg(ii) and Al(iii) nitrate salts with an alkaline solution of cubane-1,4-dicarboxylic acid by using the coprecipitation method. The successful preparation of a nanohybrid of cubane-1,4-dicarboxylate(cubane-dc) anions with LDH was confirmed by powder X-ray diffraction, FTIR spectroscopy and thermal gravimetric analysis (TGA). The increase in the basal spacing of LDHs from 8.67 Å to 13.40 Å shows that cubane-dc anions were successfully incorporated into the interlayer space. Thermogravimetric analyses confirm that the thermal stability of the intercalated cubane-dc anions is greater than that of the pure form before intercalation because of host-guest interactions involving hydrogen bonds. The interlayer structure, hydrogen bonding, and subsequent distension of LDH compounds containing cubane-dc anions were shown by molecular simulation. The RDF (radial distribution function), mean square displacement (MSD), and self-diffusion coefficient were calculated using the trajectory files on the basis of molecular dynamics (MD) simulations, and the results indicated that the cubane-dc anions were more stable when intercalated into the LDH layers. A good agreement was obtained between calculated and measured X-ray diffraction patterns and between experimental and calculated basal spacings.
Improved photostability of hydrophobic natural dye incorporated in organo-modified hydrotalcite

NASA Astrophysics Data System (ADS)

Kohno, Yoshiumi; Asai, Saeko; Shibata, Masashi; Fukuhara, Choji; Maeda, Yasuhisa; Tomita, Yasumasa; Kobayashi, Kenkichiro

2014-08-01

β-carotene and annatto extract are typical carotenoids used as safe colorants for foods. However, the instability against irradiation limits their wide use. The improvement of stability was investigated by the intercalation of dye into the interlayer space of the anion-exchangeable clay, hydrotalcite. A hydrophobic environment was constructed in the interlayer space of the hydrotalcite by its modification with anionic surfactants (dodecyl sulfate and dodecylbenzene sulfonate). The lipophilic β-carotene and annatto dye were successfully incorporated into the organo-modified hydrotalcite, and the incorporated dyes exhibited improved photostability under visible irradiation from a 100 W halogen lamp (190 klux) in the air. The effect of the stabilization on the anionic annatto dye was higher by the incorporation in the modified hydrotalcite than that in the modified cation exchangeable clay, suggesting that the polarity of the clay sheet had some influence on the stabilization of the incorporated dye. The stabilization effect of β-carotene was not so significant as that of the annatto dye, because sufficient intercalation of non-polar β-carotene might require stronger hydrophobic environment. The π-π interaction between the β-carotene and the benzene ring of dodecylbenzene sulfonate was found to contribute to the stability enhancement.
Graphene/semicrystalline-carbon derived from amylose films for supercapacitor application

NASA Astrophysics Data System (ADS)

Deraman, M.; Sazali, N. E. S.; Hanappi, M. F. Y. M.; Tajuddin, N. S. M.; Hamdan, E.; Suleman, M.; Othman, M. A. R.; Omar, R.; Hashim, M. A.; Basri, N. H.; Nor, N. S. M.; Dolah, B. N. M.; Noor, A. M.; Jasni, M. R. M.

2016-08-01

Graphene/semicrystalline-carbon in the form of carbon flakes is produced by carbonization up to 600, 700, 800, 900 and 1000°C, respectively, of the amylose films prepared by a casting method on copper foil substrate. The carbon flakes are characterized by X-ray diffraction (XRD) method to determine their microcrystallite interlayer spacing, width and stack-height; and Raman spectroscopy (RS) method to obtain structural information from the D-, D2- and G-bands peak-intensities. The XRD results show that increase in carbonization temperature lead to ~(1-3%), ~85% and ~30%increase in the microcrystallites interlayer spacing, width and stack-height, respectively, indicating that a larger growth of microcrytallite of carbon flakes occurs in the direction parallel to (001) plane or film planar surface. The specific surface area of carbon flakes estimated from the XRD results in decreases from ~4400 to ~3400 m2/g, corresponding to the specific capacitance between ~500 to ~400 F/g, which are well within the range of specific capacitance for typical electrodes carbon for supercapacitor application. The RS results show that the multilayer graphene co-exist with semicrystalline- carbon within the carbon flakes, with the multilayer graphene relative quantities increase with increasing carbonization temperature.
Thermally stable diamond brazing

DOEpatents

Radtke, Robert P [Kingwood, TX

2009-02-10

A cutting element and a method for forming a cutting element is described and shown. The cutting element includes a substrate, a TSP diamond layer, a metal interlayer between the substrate and the diamond layer, and a braze joint securing the diamond layer to the substrate. The thickness of the metal interlayer is determined according to a formula. The formula takes into account the thickness and modulus of elasticity of the metal interlayer and the thickness of the TSP diamond. This prevents the use of a too thin or too thick metal interlayer. A metal interlayer that is too thin is not capable of absorbing enough energy to prevent the TSP diamond from fracturing. A metal interlayer that is too thick may allow the TSP diamond to fracture by reason of bending stress. A coating may be provided between the TSP diamond layer and the metal interlayer. This coating serves as a thermal barrier and to control residual thermal stress.
Tunneling Photocurrent Assisted by Interlayer Excitons in Staggered van der Waals Hetero-Bilayers.

PubMed

Luong, Dinh Hoa; Lee, Hyun Seok; Neupane, Guru Prakash; Roy, Shrawan; Ghimire, Ganesh; Lee, Jin Hee; Vu, Quoc An; Lee, Young Hee

2017-09-01

Vertically stacked van der Waals (vdW) heterostructures have been suggested as a robust platform for studying interfacial phenomena and related electric/optoelectronic devices. While the interlayer Coulomb interaction mediated by the vdW coupling has been extensively studied for carrier recombination processes in a diode transport, its correlation with the interlayer tunneling transport has not been elucidated. Here, a contrast is reported between tunneling and drift photocurrents tailored by the interlayer coupling strength in MoSe 2 /MoS 2 hetero-bilayers (HBs). The interfacial coupling modulated by thermal annealing is identified by the interlayer phonon coupling in Raman spectra and the emerging interlayer exciton peak in photoluminescence spectra. In strongly coupled HBs, positive photocurrents are observed owing to the inelastic band-to-band tunneling assisted by interlayer excitons that prevail over exciton recombinations. By contrast, weakly coupled HBs exhibit a negative photovoltaic diode behavior, manifested as a drift current without interlayer excitonic emissions. This study sheds light on tailoring the tunneling transport for numerous optoelectronic HB devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Effects of a Ta interlayer on the phase transition of TiSi2 on Si(111)

NASA Astrophysics Data System (ADS)

Jeon, Hyeongtag; Jung, Bokhee; Kim, Young Do; Yang, Woochul; Nemanich, R. J.

2000-09-01

This study examines the effects of a thin Ta interlayer on the formation of TiSi2 on Si(111) substrate. The Ta interlayer was introduced by depositing Ta and Ti films sequentially on an atomically clean Si(111) substrate in an ultrahigh vacuum (UHV) system. Samples of 100 Å Ti with 5 and 10 Å Ta interlayers were compared to similar structures without an interlayer. After deposition, the substrates were annealed for 10 min, in situ, at temperatures between 500 and 750 °C in 50 °C increments. The TiSi2 formation with and without the Ta interlayer was analyzed with an X-ray diffractometer, Auger electron spectroscopy (AES), Scanning electron microscopy (SEM), transmission electron microscopy (TEM), and a four-point probe. The AES analysis data showed a 1:2 ratio of Ti:Si in the Ti-silicide layer and indicated that the Ta layer remained at the interface between TiSi2 and the Si(111) substrate. The C 49-C 54 TiSi2 phase transition temperature was lowered by ˜200 °C. The C 49-C 54 TiSi2 phase transition temperature was 550 °C for the samples with a Ta interlayer and was 750 °C for the samples with no Ta interlayer. The sheet resistance of the Ta interlayered Ti silicide showed lower values of resistivity at low temperatures which indicated the change in phase transition temperature. The C 54 TiSi2 displayed different crystal orientation when the Ta interlayer was employed. The SEM and TEM micrographs showed that the TiSi2 with a Ta interlayer significantly suppressed the tendency to islanding and surface agglomeration.
Efficient charge injection in p-type polymer field-effect transistors with low-cost molybdenum electrodes through V2O5 interlayer.

PubMed

Baeg, Kang-Jun; Bae, Gwang-Tae; Noh, Yong-Young

2013-06-26

Here we report high-performance polymer OFETs with a low-cost Mo source/drain electrode by efficient charge injection through the formation of a thermally deposited V2O5 thin film interlayer. A thermally deposited V2O5 interlayer is formed between a regioregular poly(3-hexylthiophene) (rr-P3HT) or a p-type polymer semiconductor containing dodecyl-substituted thienylenevinylene (TV) and dodecylthiophene (PC12TV12T) and the Mo source/drain electrode. The P3HT or PC12TV12T OFETs with the bare Mo electrode exhibited lower charge carrier mobility than those with Au owing to a large barrier height for hole injection (0.5-1.0 eV). By forming the V2O5 layer, the P3HT or PC12TV12T OFETs with V2O5 on the Mo electrode exhibited charge carrier mobility comparable to that of a pristine Au electrode. Best P3HT or PC12TV12T OFETs with 5 nm thick V2O5 on Mo electrode show the charge carrier mobility of 0.12 and 0.38 cm(2)/(V s), respectively. Ultraviolet photoelectron spectroscopy results exhibited the work-function of the Mo electrode progressively changed from 4.3 to 4.9 eV with an increase in V2O5 thickness from 0 to 5 nm, respectively. Interestingly, the V2O5-deposited Mo exhibits comparable Rc to Au, which mainly results from the decreased barrier height for hole carrier injection from the low-cost metal electrode to the frontier molecular orbital of the p-type polymer semiconductor after the incorporation of the transition metal oxide hole injection layer, such as V2O5. This enables the development of large-area, low-cost electronics with the Mo electrodes and V2O5 interlayer.
Single-crystal growth of C u4(OH) 6BrF and universal behavior in quantum spin liquid candidates synthetic barlowite and herbertsmithite

NASA Astrophysics Data System (ADS)

Pasco, C. M.; Trump, B. A.; Tran, Thao T.; Kelly, Z. A.; Hoffmann, C.; Heinmaa, I.; Stern, R.; McQueen, T. M.

2018-04-01

Synthetic barlowite, C u4(OH) 6BrF , has emerged as a new quantum spin liquid (QSL) host, containing kagomé layers of S =1 /2 C u2 + ions separated by interlayer C u2 + ions. Similar to synthetic herbertsmithite, ZnC u3(OH) 6C l2 , it has been reported that Z n2 + substitution for the interlayer C u2 + induces a QSL ground state. Here we report a scalable synthesis of single crystals of C u4(OH) 6BrF . Through x-ray, neutron, and electron diffraction measurements coupled with magic angle spinning 19F and 1H NMR spectroscopy, we resolve the previously reported positional disorder of the interlayer C u2 + ions and find that the structure is best described in the orthorhombic space group, Cmcm, with lattice parameters a =6.665 (13 )Å ,b =11.521 (2 )Å ,c =9.256 (18 )Å , and an ordered arrangement of interlayer C u2 + ions. Infrared spectroscopy measurements of the O—H and F—H stretching frequencies demonstrate that the orthorhombic symmetry persists upon substitution of Z n2 + for C u2 + . Specific heat and magnetic susceptibility measurements of Zn-substituted barlowite, Z nxC u4 -x(OH) 6BrF , reveal striking similarities with the behavior of Z nxC u4 -x(OH) 6C l2 . These parallels imply universal behavior of copper kagomé lattices even in the presence of small symmetry-breaking distortions. Thus, synthetic barlowite demonstrates universality of the physics of synthetic C u2 + kagomé minerals and furthers the development of real QSL states.
Trap-assisted tunneling in aluminum-doped ZnO/indium oxynitride nanodot interlayer Ohmic contacts on p-GaN

NASA Astrophysics Data System (ADS)

Ke, Wen-Cheng; Lee, Fang-Wei; Yang, Cheng-Yi; Chen, Wei-Kuo; Huang, Hao-Ping

2015-10-01

This study developed an Ohmic contact formation method for a ZnO:Al (AZO) transparent conductive layer on p-GaN films involving the introduction of an indium oxynitride (InON) nanodot interlayer. An antisurfactant pretreatment was used to grow InON nanodots on p-GaN films in a RF magnetron sputtering system. A low specific contact resistance of 1.12 × 10-4 Ω cm2 was achieved for a sample annealed at 500 °C for 30 s in nitrogen ambient and embedded with an InON nanodot interlayer with a nanodot density of 6.5 × 108 cm-2. By contrast, a sample annealed in oxygen ambient exhibited non-Ohmic behavior. X-ray photoemission spectroscopy results showed that the oxygen vacancy (Vo) in the InON nanodots played a crucial role in carrier transport. The fitting I-V characteristic curves indicated that the hopping mechanism with an activation energy of 31.6 meV and trap site spacing of 1.1 nm dominated the carrier transport in the AZO/InON nanodot/p-GaN sample. Because of the high density of donor-like oxygen vacancy defects at the InON nanodot/p-GaN interface, positive charges from the underlying p-GaN films were absorbed at the interface. This led to positive charge accumulation, creating a narrow depletion layer; therefore, carriers from the AZO layer passed through InON nanodots by hopping transport, and subsequently tunneling through the interface to enter the p-GaN films. Thus, AZO Ohmic contact can be formed on p-GaN films by embedding an InON nanodot interlayer to facilitate trap-assisted tunneling.
Layered double hydroxides as the next generation inorganic anion exchangers: Synthetic methods versus applicability.

PubMed

Chubar, Natalia; Gilmour, Robert; Gerda, Vasyl; Mičušík, Matej; Omastova, Maria; Heister, Katja; Man, Pascal; Fraissard, Jacques; Zaitsev, Vladimir

2017-07-01

This work is the first report that critically reviews the properties of layered double hydroxides (LDHs) on the level of speciation in the context of water treatment application and dynamic adsorption conditions, as well as the first report to associate these properties with the synthetic methods used for LDH preparation. Increasingly stronger maximum allowable concentrations (MAC) of various contaminants in drinking water and liquid foodstuffs require regular upgrades of purification technologies, which might also be useful in the extraction of valuable substances for reuse in accordance with modern sustainability strategies. Adsorption is the main separation technology that allows the selective extraction of target substances from multicomponent solutions. Inorganic anion exchangers arrived in the water business relatively recently to achieve the newly approved standards for arsenic levels in drinking water. LDHs (or hydrotalcites, HTs) are theoretically the best anion exchangers due to their potential to host anions in their interlayer space, which increases their anion removal capacity considerably. This potential of the interlayer space to host additional amounts of target aqueous anions makes the LDHs superior to bulk anion exchanger. The other unique advantage of these layered materials is the flexibility of the chemical composition of the metal oxide-based layers and the interlayer anions. However, until now, this group of "classical" anion exchangers has not found its industrial application in adsorption and catalysis at the industrial scale. To accelerate application of LDHs in water treatment on the industrial scale, the authors critically reviewed recent scientific and technological knowledge on the properties and adsorptive removal of LDHs from water on the fundamental science level. This also includes review of the research tools useful to reveal the adsorption mechanism and the material properties beyond the nanoscale. Further, these properties are considered in association with the synthetic methods by which the LDHs were produced. Special attention is paid to the LDH properties that are particularly relevant to water treatment, such as exchangeability ease of the interlayer anions and the LDH stability at the solid-water interface. Notably, the LDH properties (e.g., rich speciation, hydration, and the exchangeability ease of the interlayer anions with aqueous anions) are considered in the synthetic strategy context applied to the material preparation. One such promising synthetic method has been developed by the authors who supported their opinions by the unpublished data in addition to reviewing the literature. The reviewing approach allowed for establishing regularities between the parameters: the LDH synthetic method-structure/surface/interlayer-removal-suitability for water treatment. Specifically, this approach allowed for a conclusion about either the unsuitability or promising potential of some synthetic methods (or the removal approaches) used for the preparation of LDHs for water purification at larger scales. The overall reviewing approach undertaken by the authors in this work mainly complements the other reviews on LDHs (published over the past seven to eight years) and for the first time compares the properties of these materials beyond the nanoscale. Copyright © 2017 Elsevier B.V. All rights reserved.
XRD, SEM and infrared study into the intercalation of sodium hexadecyl sulfate (SHS) into hydrocalumite.

PubMed

Zhang, Ping; Wang, Tianqi; Zhang, Longlong; Wu, Daishe; Frost, Ray L

2015-12-05

Hydrocalumite (CaAl-LDH-Cl) interacted with a natural anionic surfactant, sodium hexadecyl sulfate (SHS), was performed using an intercalation method. To understand the intercalation behavior and characterize the resulting products, powder X-ray diffraction (XRD), scan electron microscopy (SEM) and mid-infrared (MIR) spectroscopy combined with near-infrared (NIR) spectroscopy technique were used. The XRD analysis indicated that SHS was intercalated into CaAl-LDH-Cl successfully, resulting in an expansion of the interlayer (from 0.78 nm to 2.74 nm). The bands of C-H stretching vibrations of SHS were observed in the near-infrared spectra, which indicated that the resulting products were indeed CaAl-LDH-SHS. In addition, the bands of water stretching vibrations and OH groups shifted to higher wavenumbers when SHS was intercalated into CaAl-LDH-Cl interlayer space. Copyright © 2015 Elsevier B.V. All rights reserved.
Complexes of dipolar excitons in layered quasi-two-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Bondarev, Igor V.; Vladimirova, Maria R.

2018-04-01

We discuss neutral and charged complexes (biexcitons and trions) formed by indirect excitons in layered quasi-two-dimensional semiconductor heterostructures. Indirect excitons—long-lived neutral Coulomb-bound pairs of electrons and holes of different layers—have been known for semiconductor coupled quantum wells and have recently been reported for van der Waals heterostructures such as double bilayer graphene and transition-metal dichalcogenides. Using the configuration space approach, we derive the analytical expressions for the trion and biexciton binding energies as a function of interlayer distance. The method captures essential kinematics of complex formation to reveal significant binding energies, up to a few tens of meV for typical interlayer distances ˜3 -5 Å , with the trion binding energy always being greater than that of the biexciton. Our results can contribute to the understanding of more complex many-body phenomena such as exciton Bose-Einstein condensation and Wigner-like electron-hole crystallization in layered semiconductor heterostructures.
Mechanical properties of hydrogenated bilayer graphene

NASA Astrophysics Data System (ADS)

Andrew, R. C.; Mapasha, R. E.; Chetty, N.

2013-06-01

Using first principle methods, we study the mechanical properties of monolayer and bilayer graphene with 50% and 100% coverage of hydrogen. We employ the vdW-DF, vdW-DF-C09x, and vdW-DF2-C09x van der Waals functionals for the exchange correlation interactions that give significantly improved interlayer spacings and energies. We also use the PBE form for the generalized gradient corrected exchange correlation functional for comparison. We present a consistent theoretical framework for the in-plane layer modulus and the out-of-plane interlayer modulus and we calculate, for the first time, these properties for these systems. This gives a measure of the change of the strength properties when monolayer and bilayer graphene are hydrogenated. Moreover, comparing the relative performance of these functionals in describing hydrogenated bilayered graphenes, we also benchmark these functionals in how they calculate the properties of graphite.
Electron-hole pairing of Fermi-arc surface states in a Weyl semimetal bilayer

NASA Astrophysics Data System (ADS)

Michetti, Paolo; Timm, Carsten

2017-03-01

The topological nature of Weyl semimetals (WSMs) is corroborated by the presence of chiral surface states, which connect the projections of the bulk Weyl points by Fermi arcs (FAs). We study a bilayer structure realized by introducing a thin insulating spacer into a bulk WSM. Employing a self-consistent mean-field description of the interlayer Coulomb interaction, we propose that this system can develop an interlayer electron-hole pair condensate. The formation of this excitonic condensate leads to partial gapping of the FA dispersion. We obtain the dependence of the energy gap and the critical temperature on the model parameters, finding, in particular, a linear scaling of these quantities with the separation between the Weyl points in momentum space. A detrimental role is played by the curvature of the FAs, although the pairing persists for moderately small curvature. A signature of the condensate is the modification of the quantum oscillations involving the surface FAs.
Ordered microporous layered lanthanide 1,3,5-benzenetriphosphonates pillared with cationic organic molecules.

PubMed

Araki, Takahiro; Kondo, Atsushi; Maeda, Kazuyuki

2015-04-13

Novel isomorphous pillared-layer-type crystalline lanthanide 1,3,5-benzenetriphosphonates were prepared with bpy and dbo as organic pillars (LnBP-bpy and LnBP-dbo; Ln: Ce, Pr, and Nd). Ab initio crystal structure solution using synchrotron X-ray powder diffraction data revealed that the organic pillars do not exist as neutral coordinating ligands but as cationic molecules. Especially the LnBP-dbo phases have ordered interlayer space filled with water molecules between the dbo pillars, and the interlayer water is successfully removed by heating under vacuum with slightly distorted but basically retained pillared layer structures. Microporosity of the materials is confirmed by adsorption of nitrogen, carbon dioxide, and hydrogen gases. Such microporous layered metal phosphonates pillared with cationic molecules should be unprecedented and should offer new strategies to design ordered microporous materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Strengthened PAN-based carbon fibers obtained by slow heating rate carbonization

PubMed Central

Kim, Min-A; Jang, Dawon; Tejima, Syogo; Cruz-Silva, Rodolfo; Joh, Han-Ik; Kim, Hwan Chul; Lee, Sungho; Endo, Morinobu

2016-01-01

Large efforts have been made over the last 40 years to increase the mechanical strength of polyacrylonitrile (PAN)-based carbon fibers (CFs) using a variety of chemical or physical protocols. In this paper, we report a new method to increase CFs mechanical strength using a slow heating rate during the carbonization process. This new approach increases both the carbon sp3 bonding and the number of nitrogen atoms with quaternary bonding in the hexagonal carbon network. Theoretical calculations support a crosslinking model promoted by the interstitial carbon atoms located in the graphitic interlayer spaces. The improvement in mechanical performance by a controlled crosslinking between the carbon hexagonal layers of the PAN based CFs is a new concept that can contribute further in the tailoring of CFs performance based on the understanding of their microstructure down to the atomic scale. PMID:27004752
Role of low-temperature AlGaN interlayers in thick GaN on silicon by metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Fritze, S.; Drechsel, P.; Stauss, P.; Rode, P.; Markurt, T.; Schulz, T.; Albrecht, M.; Bläsing, J.; Dadgar, A.; Krost, A.

2012-06-01

Thin AlGaN interlayers have been grown into a thick GaN stack on Si substrates to compensate tensile thermal stress and significantly improve the structural perfection of the GaN. In particular, thicker interlayers reduce the density in a-type dislocations as concluded from x-ray diffraction (XRD) measurements. Beyond an interlayer thickness of 28 nm plastic substrate deformation occurs. For a thick GaN stack, the first two interlayers serve as strain engineering layers to obtain a crack-free GaN structure, while a third strongly reduces the XRD ω-(0002)-FWHM. The vertical strain and quality profile determined by several XRD methods demonstrates the individual impact of each interlayer.
Free vibration of multiwall carbon nanotubes

NASA Astrophysics Data System (ADS)

Wang, C. Y.; Ru, C. Q.; Mioduchowski, A.

2005-06-01

A multiple-elastic shell model is applied to systematically study free vibration of multiwall carbon nanotubes (MWNTs). Using Flugge [Stresses in Shells (Springer, Berlin, 1960)] equations of elastic shells, vibrational frequencies and associated modes are calculated for MWNTs of innermost radii 5 and 0.65 nm, respectively. The emphasis is placed on the effect of interlayer van der Waals (vdW) interaction on free vibration of MWNTs. Our results show that the interlayer vdW interaction has a crucial effect on radial (R) modes of large-radius MWNTs (e.g., of the innermost radius 5 nm), but is less pronounced for R modes of small-radius MWNTs (e.g., of the innermost radius 0.65 nm), and usually negligible for torsional (T) and longitudinal (L) modes of MWNTs. This is attributed to the fact that the interlayer vdW interaction, characterized by a radius-independent vdW interaction coefficient, depends on radial deflections only, and is dominant only for large-radius MWNTs of lower radial rigidity but less pronounced for small-radius MWNTs of much higher radial rigidity. As a result, the R modes of large-radius MWNTs are typically collective motions of almost all nested tubes, and the R modes of small-radius MWNTs, as well as the T and L modes of MWNTs, are basically vibrations of individual tubes. In particular, an approximate single-shell model is suggested to replace the multiple-shell model in calculating the lowest frequency of R mode of thin MWNTs (defined by the innermost radius-to-thickness ratio not less than 4) with relative errors less than 10%. In addition, the simplified Flugge single equation is adopted to substitute the exact Flugge equations in determining the R-mode frequencies of MWNTs with relative errors less than 10%.

A 3D conductive carbon interlayer with ultrahigh adsorption capability for lithium-sulfur batteries

NASA Astrophysics Data System (ADS)

Zhao, Qian; Zhu, Qizhen; An, Yabin; Chen, Renjie; Sun, Ning; Wu, Feng; Xu, Bin

2018-05-01

To improve the cycling performance of the Li-S batteries, a 3D interwoven hollow interlayer with extremely high electrolyte adsorption capability up to 9.64 g g-1 was simply prepared by carbonization of cotton fabric (CCF). For comparison, an interlayer coated on separator was obtained by the slurry-coating method of powdery CCF. The key role of the adsorption capability is confirmed by comparing the electrochemical performance of Li-S batteries with these two interlayers. In the Li-S batteries with 3D CCF interlayer, massive dissolved polysulfides, together with the electrolyte, can be adsorbed and confined in the 3D CCF interlayer, providing substantial extra active sites and alleviating the shuttle effect effectively. As a result, the Li-S batteries with 3D CCF interlayer show much enhanced utilization of active materials (1346.9 mAh g-1 at 0.1C), prolonged cycle life (capacity retention of 80% after 100 cycles), and improved rate performance (553.2 mAh g-1 at 4C). Even for cathodes with high sulfur loading of 5 mg cm-2, the cells with 3D CCF interlayer perform a high capacity of 1085 mAh g-1 and retain 870.6 mAh g-1 after 75 cycles at 0.5 mA cm-2. These results not only provide a sustainable, low cost and easy-prepared 3D CCF interlayer, but also offer a promising strategy based on interlayer with high adsorption capability in designing high-performance Li-S batteries.
N/S Co-Doped 3 D Porous Carbon Nanosheet Networks Enhancing Anode Performance of Sodium-Ion Batteries.

PubMed

Zou, Lei; Lai, Yanqing; Hu, Hongxing; Wang, Mengran; Zhang, Kai; Zhang, Peng; Fang, Jing; Li, Jie

2017-10-12

A facile and scalable method is realized for the in situ synthesis of N/S co-doped 3 D porous carbon nanosheet networks (NSPCNNs) as anode materials for sodium-ion batteries. During the synthesis, NaCl is used as a template to prepare porous carbon nanosheet networks. In the resultant architecture, the unique 3 D porous architecture ensures a large specific surface area and fast diffusion paths of both electrons and ions. In addition, the import of N/S produces abundant defects, increased interlayer spacings, more active sites, and high electronic conductivity. The obtained products deliver a high specific capacity and excellent long-term cycling performance, specifically, a capacity of 336.2 mA h g -1 at 0.05 A g -1 , remaining as large as 214.9 mA h g -1 after 2000 charge/discharge cycles at 0.5 A g -1 . This material has great prospects for future applications of scalable, low-cost, and environmentally friendly sodium-ion batteries. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Probing the Interlayer Exciton Physics in a MoS2/MoSe2/MoS2 van der Waals Heterostructure.

PubMed

Baranowski, M; Surrente, A; Klopotowski, L; Urban, J M; Zhang, N; Maude, D K; Wiwatowski, K; Mackowski, S; Kung, Y C; Dumcenco, D; Kis, A; Plochocka, P

2017-10-11

Stacking atomic monolayers of semiconducting transition metal dichalcogenides (TMDs) has emerged as an effective way to engineer their properties. In principle, the staggered band alignment of TMD heterostructures should result in the formation of interlayer excitons with long lifetimes and robust valley polarization. However, these features have been observed simultaneously only in MoSe 2 /WSe 2 heterostructures. Here we report on the observation of long-lived interlayer exciton emission in a MoS 2 /MoSe 2 /MoS 2 trilayer van der Waals heterostructure. The interlayer nature of the observed transition is confirmed by photoluminescence spectroscopy, as well as by analyzing the temporal, excitation power, and temperature dependence of the interlayer emission peak. The observed complex photoluminescence dynamics suggests the presence of quasi-degenerate momentum-direct and momentum-indirect bandgaps. We show that circularly polarized optical pumping results in long-lived valley polarization of interlayer exciton. Intriguingly, the interlayer exciton photoluminescence has helicity opposite to the excitation. Our results show that through a careful choice of the TMDs forming the van der Waals heterostructure it is possible to control the circular polarization of the interlayer exciton emission.
Fabrication of superconductor-ferromagnet-insulator-superconductor Josephson junctions with critical current uniformity applicable to integrated circuits

NASA Astrophysics Data System (ADS)

Ito, Hiroshi; Taniguchi, Soya; Ishikawa, Kouta; Akaike, Hiroyuki; Fujimaki, Akira

2017-03-01

Nb Josephson junctions (JJs) were fabricated with a Pd89Ni11 ferromagnetic interlayer and an AlO x tunnel barrier layer for use in large-scale superconducting integrated circuits. The junctions had a small critical current (I c) spread, where the standard deviation 1σ was less than 2% at 4.2 K for junctions with the same designed size. It was observed that the electrical behavior of the junctions could be controlled by manipulating the film thickness of the PdNi interlayer. The junctions behaved as a π-JJ for thicknesses of 9 and 11 nm, showing 1σ in the I c spread of 1.2% for 9 nm.
First-principles study on interlayer state in alkali and alkaline earth metal atoms intercalated bilayer graphene

NASA Astrophysics Data System (ADS)

Kaneko, Tomoaki; Saito, Riichiro

2017-11-01

Energetics and electronic structures of alkali metal (Li, Na, K, Rb, and Cs) and alkaline earth metal (Be, Mg, Ca, Sr, and Ba) atoms intercalated bilayer graphene are systematically investigated using first-principles calculations based on density functional theory. Formation of alkali and alkaline earth metal atoms intercalated bilayer graphene is exothermic except for Be and Mg. The interlayer state between two graphene layers is occupied for K, Rb, Cs, Ca, Sr, and Ba. We find that the energetic position of the interlayer states between bilayer graphene monotonically shifts downward with increasing of interlayer distance. The interlayer distances of more than 4.5 Å and 4.0 Å, respectively, are necessary for the occupation of the interlayer state in bilayer graphene for alkali and alkaline earth metal atoms, which is almost independent of the intercalant metal species. We discuss the relevance to occurrence of superconductivity for the metal intercalated bilayer graphene in terms of the occupation of the interlayer state and the phonon frequency of metal ions.
Electron microscopy investigations of purity of AlN interlayer in Al{sub x}Ga{sub 1-x}N/GaN heterostructures grown by plasma assisted molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sridhara Rao, D. V.; Jain, Anubha; Lamba, Sushil

2013-05-13

The electron microscopy was used to characterize the AlN interlayer in Al{sub x}Ga{sub 1-x}N/AlN/GaN heterostructures grown by plasma assisted molecular beam epitaxy (PAMBE). We show that the AlN interlayer grown by PAMBE is without gallium and oxygen incorporation and the interfaces are coherent. The AlN interlayer has the ABAB stacking of lattice planes as expected for the wurtzite phase. High purity of AlN interlayer with the ABAB stacking leads to larger conduction band offset along with stronger polarization effects. Our studies show that the origin of lower sheet resistance obtained by PAMBE is the purity of AlN interlayer.
Effects of the F₄TCNQ-Doped Pentacene Interlayers on Performance Improvement of Top-Contact Pentacene-Based Organic Thin-Film Transistors.

PubMed

Fan, Ching-Lin; Lin, Wei-Chun; Chang, Hsiang-Sheng; Lin, Yu-Zuo; Huang, Bohr-Ran

2016-01-13

In this paper, the top-contact (TC) pentacene-based organic thin-film transistor (OTFT) with a tetrafluorotetracyanoquinodimethane (F₄TCNQ)-doped pentacene interlayer between the source/drain electrodes and the pentacene channel layer were fabricated using the co-evaporation method. Compared with a pentacene-based OTFT without an interlayer, OTFTs with an F₄TCNQ:pentacene ratio of 1:1 showed considerably improved electrical characteristics. In addition, the dependence of the OTFT performance on the thickness of the F₄TCNQ-doped pentacene interlayer is weaker than that on a Teflon interlayer. Therefore, a molecular doping-type F₄TCNQ-doped pentacene interlayer is a suitable carrier injection layer that can improve the TC-OTFT performance and facilitate obtaining a stable process window.
Femtosecond laser rapid fabrication of large-area rose-like micropatterns on freestanding flexible graphene films

PubMed Central

Shi, Xuesong; Li, Xin; Jiang, Lan; Qu, Liangti; Zhao, Yang; Ran, Peng; Wang, Qingsong; Cao, Qiang; Ma, Tianbao; Lu, Yongfeng

2015-01-01

We developed a simple, scalable and high-throughput method for fabrication of large-area three-dimensional rose-like microflowers with controlled size, shape and density on graphene films by femtosecond laser micromachining. The novel biomimetic microflower that composed of numerous turnup graphene nanoflakes can be fabricated by only a single femtosecond laser pulse, which is efficient enough for large-area patterning. The graphene films were composed of layer-by-layer graphene nanosheets separated by nanogaps (~10–50 nm), and graphene monolayers with an interlayer spacing of ~0.37 nm constituted each of the graphene nanosheets. This unique hierarchical layering structure of graphene films provides great possibilities for generation of tensile stress during femtosecond laser ablation to roll up the nanoflakes, which contributes to the formation of microflowers. By a simple scanning technique, patterned surfaces with controllable densities of flower patterns were obtained, which can exhibit adhesive superhydrophobicity. More importantly, this technique enables fabrication of the large-area patterned surfaces at centimeter scales in a simple and efficient way. This study not only presents new insights of ultrafast laser processing of novel graphene-based materials but also shows great promise of designing new materials combined with ultrafast laser surface patterning for future applications in functional coatings, sensors, actuators and microfluidics. PMID:26615800
Structural Directed Growth of Ultrathin Parallel Birnessite on β-MnO2 for High-Performance Asymmetric Supercapacitors.

PubMed

Zhu, Shijin; Li, Li; Liu, Jiabin; Wang, Hongtao; Wang, Tian; Zhang, Yuxin; Zhang, Lili; Ruoff, Rodney S; Dong, Fan

2018-02-27

Two-dimensional birnessite has attracted attention for electrochemical energy storage because of the presence of redox active Mn 4+ /Mn 3+ ions and spacious interlayer channels available for ions diffusion. However, current strategies are largely limited to enhancing the electrical conductivity of birnessite. One key limitation affecting the electrochemical properties of birnessite is the poor utilization of the MnO 6 unit. Here, we assemble β-MnO 2 /birnessite core-shell structure that exploits the exposed crystal face of β-MnO 2 as the core and ultrathin birnessite sheets that have the structure advantage to enhance the utilization efficiency of the Mn from the bulk. Our birnessite that has sheets parallel to each other is found to have unusual crystal structure with interlayer spacing, Mn(III)/Mn(IV) ratio and the content of the balancing cations differing from that of the common birnessite. The substrate directed growth mechanism is carefully investigated. The as-prepared core-shell nanostructures enhance the exposed surface area of birnessite and achieve high electrochemical performances (for example, 657 F g -1 in 1 M Na 2 SO 4 electrolyte based on the weight of parallel birnessite) and excellent rate capability over a potential window of up to 1.2 V. This strategy opens avenues for fundamental studies of birnessite and its properties and suggests the possibility of its use in energy storage and other applications. The potential window of an asymmetric supercapacitor that was assembled with this material can be enlarged to 2.2 V (in aqueous electrolyte) with a good cycling ability.
Enhanced fill factor of tandem organic solar cells incorporating a diketopyrrolopyrrole-based low-bandgap polymer and optimized interlayer.

PubMed

Wang, Dong Hwan; Kyaw, Aung Ko Ko; Park, Jong Hyeok

2015-01-01

We demonstrate that reproducible results can be obtained from tandem solar cells based on the wide-bandgap poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4,7-di-2-thienyl-2',1',3'-benzothiadiazole] (PCDTBT) and the diketopyrrolopyrrole (DPP)-based narrow bandgap polymer (DT-PDPP2T-TT) with a decyltetradecyl (DT) and an electron-rich 2,5-di-2-thienylthieno[3,2-b]thiophene (2T-TT) group fabricated using an optimized interlayer (ZnO NPs/ph-n-PEDOT:PSS) [NPs: nanoparticles; ph-n: pH-neutral PEDOT: poly(3,4-ethylenedioxythiophene); PSS: polystyrene sulfonate]. The tandem cells are fabricated by applying a simple process without thermal annealing. The ZnO NP interlayer operates well when the ZnO NPs are dispersed in 2-methoxyethanol, as no precipitation and chemical reactions occur. In addition to the ZnO NP film, we used neutral PEDOT:PSS as a second interlayer which is not affect to the sequential deposited bulk heterojunction (BHJ) active layer of acidification. The power conversion efficiency (PCE) of a tandem device reaches 7.4 % (open-circuit voltage VOC =1.53 V, short-circuit current density JSC =7.3 mA cm(-2) , and fill factor FF=67 %). Furthermore, FF is increased to up to 71 % when another promising large bandgap (bandgap ∼1.94 eV) polymer (PBnDT-FTAZ) is used. The surface of each layer with nanoscale morphology (BHJ1/ZnO NPs film/ph-n-PEDOT:PSS/BHJ2) was examined by means of AFM analysis during sequential processing. The combination of these factors, efficient DPP-based narrow bandgap material and optimized interlayer, leads to the high FF (average approaches 70 %) and reproducibly operating tandem BHJ solar cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Effects of the F4TCNQ-Doped Pentacene Interlayers on Performance Improvement of Top-Contact Pentacene-Based Organic Thin-Film Transistors

PubMed Central

Fan, Ching-Lin; Lin, Wei-Chun; Chang, Hsiang-Sheng; Lin, Yu-Zuo; Huang, Bohr-Ran

2016-01-01

In this paper, the top-contact (TC) pentacene-based organic thin-film transistor (OTFT) with a tetrafluorotetracyanoquinodimethane (F4TCNQ)-doped pentacene interlayer between the source/drain electrodes and the pentacene channel layer were fabricated using the co-evaporation method. Compared with a pentacene-based OTFT without an interlayer, OTFTs with an F4TCNQ:pentacene ratio of 1:1 showed considerably improved electrical characteristics. In addition, the dependence of the OTFT performance on the thickness of the F4TCNQ-doped pentacene interlayer is weaker than that on a Teflon interlayer. Therefore, a molecular doping-type F4TCNQ-doped pentacene interlayer is a suitable carrier injection layer that can improve the TC-OTFT performance and facilitate obtaining a stable process window. PMID:28787845
Effect of sputtered titanium interlayers on the properties of nanocrystalline diamond films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Cuiping, E-mail: licp226@126.com, E-mail: limingji@163.com; Li, Mingji, E-mail: licp226@126.com, E-mail: limingji@163.com; Wu, Xiaoguo

2016-04-07

Ti interlayers with different thicknesses were sputtered on Si substrates and then ultrasonically seeded in a diamond powder suspension. Nanocrystalline diamond (NCD) films were deposited using a dc arc plasma jet chemical vapor deposition system on the seeded Ti/Si substrates. Atomic force microscopy and scanning electron microscopy tests showed that the roughness of the prepared Ti interlayer increased with increasing thickness. The effects of Ti interlayers with various thicknesses on the properties of NCD films were investigated. The results show nucleation, growth, and microstructure of the NCD films are strongly influenced by the Ti interlayers. The addition of a Timore » interlayer between the Si substrate and the NCD films can significantly enhance the nucleation rate and reduce the surface roughness of the NCD. The NCD film on a 120 nm Ti interlayer possesses the fastest nucleation rate and the smoothest surface. Raman spectra of the NCD films show trans-polyacetylene relevant peaks reduce with increasing Ti interlayer thickness, which can owe to the improvement of crystalline at grain boundaries. Furthermore, nanoindentation measurement results show that the NCD film on a 120 nm Ti interlayer displays a higher hardness and elastic modulus. High resolution transmission electron microscopy images of a cross-section show that C atoms diffuse into the Ti layer and Si substrate and form TiC and SiC hard phases, which can explain the enhancement of mechanical properties of NCD.« less
Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers

DOE PAGES

Greathouse, Jeffery A.; Cygan, Randall T.; Fredrich, Joanne T.; ...

2016-01-20

In this study, the diffusion of water and ions in the interlayer region of smectite clay minerals represents a direct probe of the type and strength of clay–fluid interactions. Interlayer diffusion also represents an important link between molecular simulation and macroscopic experiments. Here we use molecular dynamics simulation to investigate trends in cation and water diffusion in montmorillonite interlayers, looking specifically at the effects of layer charge, interlayer cation and cation charge (sodium or calcium), water content, and temperature. For Na-montmorillonite, the largest increase in ion and water diffusion coefficients occurs between the one-layer and two-layer hydrates, corresponding to themore » transition from inner-sphere to outer-sphere surface complexes. Calculated activation energies for ion and water diffusion in Na-montmorillonite are similar to each other and to the water hydrogen bond energy, suggesting the breaking of water–water and water–clay hydrogen bonds as a likely mechanism for interlayer diffusion. A comparison of interlayer diffusion with that of bulk electrolyte solutions reveals a clear trend of decreasing diffusion coefficient with increasing electrolyte concentration, and in most cases the interlayer diffusion results are nearly coincident with the corresponding bulk solutions. Trends in electrical conductivities computed from the ion diffusion coefficients are also compared.« less
High efficiency epitaxial GaAs/GaAs and GaAs/Ge solar cell technology using OM/CVD

NASA Technical Reports Server (NTRS)

Wang, K. L.; Yeh, Y. C. M.; Stirn, R. J.; Swerdling, S.

1980-01-01

A technology for fabricating high efficiency, thin film GaAs solar cells on substrates appropriate for space and/or terrestrial applications was developed. The approach adopted utilizes organometallic chemical vapor deposition (OM-CVD) to form a GaAs layer epitaxially on a suitably prepared Ge epi-interlayer deposited on a substrate, especially a light weight silicon substrate which can lead to a 300 watt per kilogram array technology for space. The proposed cell structure is described. The GaAs epilayer growth on single crystal GaAs and Ge wafer substrates were investigated.
Interlayer‐State‐Coupling Dependent Ultrafast Charge Transfer in MoS2/WS2 Bilayers

PubMed Central

Zhang, Jin; Hong, Hao; Lian, Chao; Ma, Wei; Xu, Xiaozhi; Zhou, Xu; Fu, Huixia

2017-01-01

Light‐induced interlayer ultrafast charge transfer in 2D heterostructures provides a new platform for optoelectronic and photovoltaic applications. The charge separation process is generally hypothesized to be dependent on the interlayer stackings and interactions, however, the quantitative characteristic and detailed mechanism remain elusive. Here, a systematical study on the interlayer charge transfer in model MoS2/WS2 bilayer system with variable stacking configurations by time‐dependent density functional theory methods is demonstrated. The results show that the slight change of interlayer geometry can significantly modulate the charge transfer time from 100 fs to 1 ps scale. Detailed analysis further reveals that the transfer rate in MoS2/WS2 bilayers is governed by the electronic coupling between specific interlayer states, rather than the interlayer distances, and follows a universal dependence on the state‐coupling strength. The results establish the interlayer stacking as an effective freedom to control ultrafast charge transfer dynamics in 2D heterostructures and facilitate their future applications in optoelectronics and light harvesting. PMID:28932669
Dispersion relations of elastic waves in one-dimensional piezoelectric/piezomagnetic phononic crystal with functionally graded interlayers.

PubMed

Guo, Xiao; Wei, Peijun; Lan, Man; Li, Li

2016-08-01

The effects of functionally graded interlayers on dispersion relations of elastic waves in a one-dimensional piezoelectric/piezomagnetic phononic crystal are studied in this paper. First, the state transfer equation of the functionally graded interlayer is derived from the motion equation by the reduction of order (from second order to first order). The transfer matrix of the functionally graded interlayer is obtained by solving the state transfer equation with the spatial-varying coefficient. Based on the transfer matrixes of the piezoelectric slab, the piezomagnetic slab and the functionally graded interlayers, the total transfer matrix of a single cell is obtained. Further, the Bloch theorem is used to obtain the resultant dispersion equations of in-plane and anti-plane Bloch waves. The dispersion equations are solved numerically and the numerical results are shown graphically. Five kinds of profiles of functionally graded interlayers between a piezoelectric slab and a piezomagnetic slab are considered. It is shown that the functionally graded interlayers have evident influences on the dispersion curves and the band gaps. Copyright © 2016 Elsevier B.V. All rights reserved.
Hydrophilic Conjugated Polymers with Large Bandgaps and Deep-Lying HOMO Levels as an Efficient Cathode Interlayer in Inverted Polymer Solar Cells.

PubMed

Kan, Yuanyuan; Zhu, Yongxiang; Liu, Zhulin; Zhang, Lianjie; Chen, Junwu; Cao, Yong

2015-08-01

Two hydrophilic conjugated polymers, PmP-NOH and PmP36F-NOH, with polar diethanol-amine on the side chains and main chain structures of poly(meta-phenylene) and poly(meta-phenylene-alt-3,6-fluorene), respectively, are successfully synthesized. The films of PmP-NOH and PmP36F-NOH show absorption edges at 340 and 343 nm, respectively. The calculated optical bandgaps of the two polymers are 3.65 and 3.62 eV, respectively, the largest ones so far reported for hydrophilic conjugated polymers. PmP-NOH and PmP36F-NOH also possess deep-lying highest occupied molecular orbital levels of -6.19 and -6.15 eV, respectively. Inserting PmP-NOH and PmP36F-NOH as a cathode interlayer in inverted polymer solar cells with a PTB7/PC71 BM blend as the active layer, high power conversion efficiencies of 8.58% and 8.33%, respectively, are achieved, demonstrating that the two hydrophilic polymers are excellent interlayers for efficient inverted polymer solar cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Iodide uptake by negatively charged clay interlayers?

PubMed

Miller, Andrew; Kruichak, Jessica; Mills, Melissa; Wang, Yifeng

2015-09-01

Understanding iodide interactions with clay minerals is critical to quantifying risk associated with nuclear waste disposal. Current thought assumes that iodide does not interact directly with clay minerals due to electrical repulsion between the iodide and the negatively charged clay layers. However, a growing body of work indicates a weak interaction between iodide and clays. The goal of this contribution is to report a conceptual model for iodide interaction with clays by considering clay mineral structures and emergent behaviors of chemical species in confined spaces. To approach the problem, a suite of clay minerals was used with varying degrees of isomorphic substitution, chemical composition, and mineral structure. Iodide uptake experiments were completed with each of these minerals in a range of swamping electrolyte identities (NaCl, NaBr, KCl) and concentrations. Iodide uptake behaviors form distinct trends with cation exchange capacity and mineral structure. These trends change substantially with electrolyte composition and concentration, but do not appear to be affected by solution pH. The experimental results suggest that iodide may directly interact with clays by forming ion-pairs (e.g., NaI(aq)) which may concentrate within the interlayer space as well as the thin areas surrounding the clay particle where water behavior is more structured relative to bulk water. Ion pairing and iodide concentration in these zones is probably driven by the reduced dielectric constant of water in confined space and by the relatively high polarizability of the iodide species. Copyright © 2015 Elsevier Ltd. All rights reserved.
Influence of in-situ deposited SiNx interlayer on crystal quality of GaN epitaxial films

NASA Astrophysics Data System (ADS)

Fan, Teng; Jia, Wei; Tong, Guangyun; Zhai, Guangmei; Li, Tianbao; Dong, Hailiang; Xu, Bingshe

2018-05-01

GaN epitaxial films with SiNx interlayers were prepared by metal organic chemical vapor deposition (MOCVD) on c-plane sapphire substrates. The influences of deposition times and locations of SiNx interlayers on crystal quality of GaN epitaxial films were studied. Under the optimal growth time of 120 s for the SiNx interlayer, the dislocation density of GaN film is reduced to 4.05 × 108 cm-2 proved by high resolution X-ray diffraction results. It is found that when the SiNx interlayer deposits on the GaN nucleation islands, the subsequent GaN film has the lowest dislocation density of only 2.89 × 108 cm-2. Moreover, a model is proposed to illustrate the morphological evolution and associated propagation processes of TDs in GaN epi-layers with SiNx interlayers for different deposition times and locations.
Terahertz transmission resonances in complementary multilayered metamaterial with deep subwavelength interlayer spacing

NASA Astrophysics Data System (ADS)

Choi, Muhan; Kang, Byungsoo; Yi, Yoonsik; Lee, Seung Hoon; Kim, Inbo; Han, Jae-Hyung; Yi, Minwoo; Ahn, Jaewook; Choi, Choon-Gi

2016-05-01

We introduce a flexible multilayered THz metamaterial designed by using the Babinet's principle with the functionality of narrow band-pass filter. The metamaterial gives us systematic way to design frequency selective surfaces working on intended frequencies and bandwidths. It shows highly enhanced transmission of 80% for the normal incident THz waves due to the strong coupling of the two layers of metamaterial complementary to each other.

Flexible MXene/Graphene Films for Ultrafast Supercapacitors with Outstanding Volumetric Capacitance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Jun; Ren, Chang E.; Maleski, Kathleen

A strategy to prepare flexible and conductive MXene/graphene (reduced graphene oxide, rGO) supercapacitor electrodes by using electrostatic self-assembly between positively charged rGO modified with poly(diallyldimethylammonium chloride) and negatively charged titanium carbide MXene nanosheets is presented. After electrostatic assembly, rGO nanosheets are inserted in-between MXene layers. As a result, the self-restacking of MXene nanosheets is effectively prevented, leading to a considerably increased interlayer spacing. Accelerated diffusion of electrolyte ions enables more electroactive sites to become accessible. The freestanding MXene/rGO-5 wt% electrode displays a volumetric capacitance of 1040 F cm –3 at a scan rate of 2 mV s –1, an impressivemore » rate capability with 61% capacitance retention at 1 V s –1 and long cycle life. Moreover, the fabricated binder-free symmetric supercapacitor shows an ultrahigh volumetric energy density of 32.6 Wh L –1, which is among the highest values reported for carbon and MXene based materials in aqueous electrolytes. Furthermore, this work provides fundamental insight into the effect of interlayer spacing on the electrochemical performance of 2D hybrid materials and sheds light on the design of next-generation flexible, portable and highly integrated supercapacitors with high volumetric and rate performances.« less
Structure Determination of Au on Pt(111) Surface: LEED, STM and DFT Study

PubMed Central

Krupski, Katarzyna; Moors, Marco; Jóźwik, Paweł; Kobiela, Tomasz; Krupski, Aleksander

2015-01-01

Low-energy electron diffraction (LEED), scanning tunneling microscopy (STM) and density functional theory (DFT) calculations have been used to investigate the atomic and electronic structure of gold deposited (between 0.8 and 1.0 monolayer) on the Pt(111) face in ultrahigh vacuum at room temperature. The analysis of LEED and STM measurements indicates two-dimensional growth of the first Au monolayer. Change of the measured surface lattice constant equal to 2.80 Å after Au adsorption was not observed. Based on DFT, the distance between the nearest atoms in the case of bare Pt(111) and Au/Pt(111) surface is equal to 2.83 Å, which gives 1% difference in comparison with STM values. The first and second interlayer spacing of the clean Pt(111) surface are expanded by +0.87% and contracted by −0.43%, respectively. The adsorption energy of the Au atom on the Pt(111) surface is dependent on the adsorption position, and there is a preference for a hollow fcc site. For the Au/Pt(111) surface, the top interlayer spacing is expanded by +2.16% with respect to the ideal bulk value. Changes in the electronic properties of the Au/Pt(111) system below the Fermi level connected to the interaction of Au atoms with Pt(111) surface are observed.
Interactions of oxytetracycline with a smectite clay: a spectroscopic study with molecular simulations.

PubMed

Aristilde, Ludmilla; Marichal, Claire; Miéhé-Brendlé, Jocelyne; Lanson, Bruno; Charlet, Laurent

2010-10-15

Binding of antibiotics to clay minerals can decrease both their physical and biological availability in soils. To elucidate the binding mechanisms of tetracycline antibiotics on smectite clays as a function of pH, we probed the interactions of oxytetracycline (OTC) with Na-montmorillonite (MONT) using X-ray diffraction (XRD), infrared (IR), and solid-state nuclear magnetic resonance (NMR) spectroscopies, and Monte Carlo molecular simulations. The XRD patterns demonstrate the presence of OTC in the MONT interlayer space at acidic pH whereas complexation of OTC by external basal and edge sites seems to prevail at pH 8. At both pH, the (1)H-(13)C NMR profile indicates restricted mobility of the adsorbed OTC species; and, -CH(3) deformation and C-N stretching IR vibration bands confirm a binding mechanism involving the protonated dimethylamino group of OTC. Changes in the (23)Na NMR environments are consistent with cation-exchange and cation complexation reactions at the different sites of adsorption. Molecular simulations indicate that MONT interlayer spacing and structural charge localization dictate favorable binding conformations of the intercalated OTC, facilitating multiple interactions in agreement with the spectroscopic data. Our results present complementary insights into the mechanisms of adsorption of TETs on smectites important for their retention in natural and engineered soil environments.
Theoretical Analysis of Thermal Transport in Graphene Supported on Hexagonal Boron Nitride: The Importance of Strong Adhesion Due to π -Bond Polarization

NASA Astrophysics Data System (ADS)

Pak, Alexander J.; Hwang, Gyeong S.

2016-09-01

One important attribute of graphene that makes it attractive for high-performance electronics is its inherently large thermal conductivity (κ ) for the purposes of thermal management. Using a combined density-functional theory and classical molecular-dynamics approach, we predict that the κ of graphene supported on hexagonal boron nitride (h -BN) can be as large as 90% of the κ of suspended graphene, in contrast to the significant suppression of κ (more than 70% reduction) on amorphous silica. Interestingly, we find that this enhanced thermal transport is largely attributed to increased lifetimes of the in-plane acoustic phonon modes, which is a notable contrast from the dominant contribution of out-of-plane acoustic modes in suspended graphene. This behavior is possible due to the charge polarization throughout graphene that induces strong interlayer adhesion between graphene and h -BN. These findings highlight the potential benefit of layered dielectric substrates such as h -BN for graphene-based thermal management, in addition to their electronic advantages. Furthermore, our study brings attention to the importance of understanding the interlayer interactions of graphene with layered dielectric materials which may offer an alternative technological platform for substrates in electronics.
High density circuit technology, part 2

NASA Technical Reports Server (NTRS)

Wade, T. E.

1982-01-01

A multilevel metal interconnection system for very large scale integration (VLSI) systems utilizing polyimides as the interlayer dielectric material is described. A complete characterization of polyimide materials is given as well as experimental methods accomplished using a double level metal test pattern. A low temperature, double exposure polyimide patterning procedure is also presented.
In situ growth of TiO2 in interlayers of expanded graphite for the fabrication of TiO2-graphene with enhanced photocatalytic activity.

PubMed

Jiang, Baojiang; Tian, Chungui; Zhou, Wei; Wang, Jianqiang; Xie, Ying; Pan, Qingjiang; Ren, Zhiyu; Dong, Youzhen; Fu, Dan; Han, Jiale; Fu, Honggang

2011-07-18

We present a facile route for the preparation of TiO(2)-graphene composites by in situ growth of TiO(2) in the interlayer of inexpensive expanded graphite (EG) under solvothermal conditions. A vacuum-assisted technique combined with the use of a surfactant (cetyltrimethylammonium bromide) plays a key role in the fabrication of such composites. Firstly, the vacuum environment promotes full infusion of the initial solution containing Ti(OBu)(4) and the surfactant into the interlayers of EG. Subsequently, numerous TiO(2) nanoparticles uniformly grow in situ in the interlayers with the help of the surfactant, which facilitates the exfoliation of EG under the solvothermal conditions in ethanol, eventually forming TiO(2)-graphene composites. The as-prepared samples have been characterized by Raman and FTIR spectroscopies, SEM, TEM, AFM, and thermogravimetic analysis. It is shown that a large number of TiO(2) nanoparticles homogeneously cover the surface of high-quality graphene sheets. The graphene exhibits a multi-layered structure (5-7 layers). Notably, the TiO(2)-graphene composite (only 30 wt % of which is TiO(2)) synthesized by subsequent thermal treatment at high temperature under nitrogen shows high photocatalytic activity in the degradation of phenol under visible and UV lights in comparison with bare Degussa P25. The enhanced photocatalytic performance is attributed to increased charge separation, improved light absorbance and light absorption width, and high adsorptivity for pollutants. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
On Practical Charge Injection at the Metal/Organic Semiconductor Interface

PubMed Central

Kumatani, Akichika; Li, Yun; Darmawan, Peter; Minari, Takeo; Tsukagoshi, Kazuhito

2013-01-01

We have revealed practical charge injection at metal and organic semiconductor interface in organic field effect transistor configurations. We have developed a facile interface structure that consisted of double-layer electrodes in order to investigate the efficiency through contact metal dependence. The metal interlayer with few nanometers thickness between electrode and organic semiconductor drastically reduces the contact resistance at the interface. The improvement has clearly obtained when the interlayer is a metal with lower standard electrode potential of contact metals than large work function of the contact metals. The electrode potential also implies that the most dominant effect on the mechanism at the contact interface is induced by charge transfer. This mechanism represents a step forward towards understanding the fundamental physics of intrinsic charge injection in all organic devices. PMID:23293741
Performance of TenCate Paving interlayers in asphalt concrete pavements.

DOT National Transportation Integrated Search

2017-08-01

As a continued effort of a previously completed project entitled Performance of TenCate Mirafi PGM-G4 Interlayer-Reinforced Asphalt Pavements in Alaska, this project evaluated two newly modified paving interlayers (TruPave and Mirapave) through...
Structural Analysis of MoS2 and other 2D layered materials using LEEM/LEED-I(V) and STM

NASA Astrophysics Data System (ADS)

Grady, Maxwell; Dai, Zhongwei; Jin, Wencan; Dadap, Jerry; Osgood, Richard; Sadowski, Jerzy; Pohl, Karsten

Layered two-dimensional materials, such as molybdenum disulfide, MoS2, are of interest for the development of many types of novel electronic devices. To fully understand the interfaces between these new materials, the atomic reconstructions at their surfaces must be understood. Low Energy Electron Microscopy and Diffraction, LEEM/ μLEED, present a unique method for rapid material characterization in real space and reciprocal space with high resolution. Here we present a study of the surface structure of 2H-MoS2 using μLEED intensity-voltage analysis. To aid this analysis, software is under development to automate the procedure of extracting I(V) curves from LEEM and LEED data. When matched with computational modeling, this data provides information with angstrom level resolution concerning the three dimensional atomic positions. We demonstrate that the surface structure of bulk MoS2 is distinct from the bulk crystal structure and exhibits a smaller surface relaxation at 320K compared to previous results at 95K. Furthermore, suspended monolayer samples exhibit large interlayer relaxations compared to the bulk surface termination. Further techniques for refining layer thickness determination are under development.
Eu(III) uptake on rectorite in the presence of humic acid: a macroscopic and spectroscopic study.

PubMed

Chen, Changlun; Yang, Xin; Wei, Juan; Tan, Xiaoli; Wang, Xiangke

2013-03-01

This work contributed to the comprehension of humic acid (HA) effect on Eu(III) uptake to Na-rectorite by batch sorption experiments, model fitting, scanning electron microscopy, powder X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and extended X-ray absorption fine structure (EXAFS) spectroscopy. At low pH, the presence of HA enhanced Eu(III) sorption on Na-rectorite, while reduced Eu(III) sorption at high pH. The experimental data of Eu(III) sorption in the absence and presence of HA were simulated by the diffuse-layer model well with the aid of FITEQL 3.2 software. The basal spacing of rectorite became large after Eu(III) and HA sorption on Na-rectorite. Some of Eu(III) ions and HA might be intercalated into the interlayer space of Na-rectorite. EXAFS analysis showed that the R(Eu-O) (the bond distance of Eu and O in the first shell of Eu) and N values (coordination number) of Eu(III)-HA-rectorite system were smaller than those of Eu(III)-rectorite system. Copyright © 2012 Elsevier Inc. All rights reserved.
Bending stiffness and interlayer shear modulus of few-layer graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Xiaoming; Yi, Chenglin; Ke, Changhong, E-mail: cke@binghamton.edu

2015-03-09

Interlayer shear deformation occurs in the bending of multilayer graphene with unconstrained ends, thus influencing its bending rigidity. Here, we investigate the bending stiffness and interlayer shear modulus of few-layer graphene through examining its self-folding conformation on a flat substrate using atomic force microscopy in conjunction with nonlinear mechanics modeling. The results reveal that the bending stiffness of 2–6 layers graphene follows a square-power relationship with its thickness. The interlayer shear modulus is found to be in the range of 0.36–0.49 GPa. The research findings show that the weak interlayer shear interaction has a substantial stiffening effect for multilayer graphene.
Interface amorphization in hexagonal boron nitride films on sapphire substrate grown by metalorganic vapor phase epitaxy

NASA Astrophysics Data System (ADS)

Yang, Xu; Nitta, Shugo; Pristovsek, Markus; Liu, Yuhuai; Nagamatsu, Kentaro; Kushimoto, Maki; Honda, Yoshio; Amano, Hiroshi

2018-05-01

Hexagonal boron nitride (h-BN) films directly grown on c-plane sapphire substrates by pulsed-mode metalorganic vapor phase epitaxy exhibit an interlayer for growth temperatures above 1200 °C. Cross-sectional transmission electron microscopy shows that this interlayer is amorphous, while the crystalline h-BN layer above has a distinct orientational relationship with the sapphire substrate. Electron energy loss spectroscopy shows the energy-loss peaks of B and N in both the amorphous interlayer and the overlying crystalline h-BN layer, while Al and O signals are also seen in the amorphous interlayer. Thus, the interlayer forms during h-BN growth through the decomposition of the sapphire at elevated temperatures.
Quantum-Dot Light-Emitting Diodes with Nitrogen-Doped Carbon Nanodot Hole Transport and Electronic Energy Transfer Layer.

PubMed

Park, Young Ran; Jeong, Hu Young; Seo, Young Soo; Choi, Won Kook; Hong, Young Joon

2017-04-12

Electroluminescence efficiency is crucial for the application of quantum-dot light-emitting diodes (QD-LEDs) in practical devices. We demonstrate that nitrogen-doped carbon nanodot (N-CD) interlayer improves electrical and luminescent properties of QD-LEDs. The N-CDs were prepared by solution-based bottom up synthesis and were inserted as a hole transport layer (HTL) between other multilayer HTL heterojunction and the red-QD layer. The QD-LEDs with N-CD interlayer represented superior electrical rectification and electroluminescent efficiency than those without the N-CD interlayer. The insertion of N-CD layer was found to provoke the Förster resonance energy transfer (FRET) from N-CD to QD layer, as confirmed by time-integrated and -resolved photoluminescence spectroscopy. Moreover, hole-only devices (HODs) with N-CD interlayer presented high hole transport capability, and ultraviolet photoelectron spectroscopy also revealed that the N-CD interlayer reduced the highest hole barrier height. Thus, more balanced carrier injection with sufficient hole carrier transport feasibly lead to the superior electrical and electroluminescent properties of the QD-LEDs with N-CD interlayer. We further studied effect of N-CD interlayer thickness on electrical and luminescent performances for high-brightness QD-LEDs. The ability of the N-CD interlayer to improve both the electrical and luminescent characteristics of the QD-LEDs would be readily exploited as an emerging photoactive material for high-efficiency optoelectronic devices.
Evaluation of stone/RAP interlayers under accelerated loading : technical summary.

DOT National Transportation Integrated Search

2008-08-01

The primary objective of this study was to determine the effectiveness of using an untreated RAP interlayer in lieu of a stone interlayer in a soil-cement asphalt pavement structure under accelerated loading. The secondary objective was to investigat...
Enhanced performance of solution-processed organic thin-film transistors with a low-temperature-annealed alumina interlayer between the polyimide gate insulator and the semiconductor.

PubMed

Yoon, Jun-Young; Jeong, Sunho; Lee, Sun Sook; Kim, Yun Ho; Ka, Jae-Won; Yi, Mi Hye; Jang, Kwang-Suk

2013-06-12

We studied a low-temperature-annealed sol-gel-derived alumina interlayer between the organic semiconductor and the organic gate insulator for high-performance organic thin-film transistors. The alumina interlayer was deposited on the polyimide gate insulator by a simple spin-coating and 200 °C-annealing process. The leakage current density decreased by the interlayer deposition: at 1 MV/cm, the leakage current densities of the polyimide and the alumina/polyimide gate insulators were 7.64 × 10(-7) and 3.01 × 10(-9) A/cm(2), respectively. For the first time, enhancement of the organic thin-film transistor performance by introduction of an inorganic interlayer between the organic semiconductor and the organic gate insulator was demonstrated: by introducing the interlayer, the field-effect mobility of the solution-processed organic thin-film transistor increased from 0.35 ± 0.15 to 1.35 ± 0.28 cm(2)/V·s. Our results suggest that inorganic interlayer deposition could be a simple and efficient surface treatment of organic gate insulators for enhancing the performance of solution-processed organic thin-film transistors.
Effects of Electrospun Carbon Nanofibers' Interlayers on High-Performance Lithium-Sulfur Batteries.

PubMed

Gao, Tianji; Le, TrungHieu; Yang, Ying; Yu, Zhihao; Huang, Zhenghong; Kang, Feiyu

2017-03-31

Two different interlayers were introduced in lithium-sulfur batteries to improve the cycling stability with sulfur loading as high as 80% of total mass of cathode. Melamine was recommended as a nitrogen-rich (N-rich) amine component to synthesize a modified polyacrylic acid (MPAA). The electrospun MPAA was carbonized into N-rich carbon nanofibers, which were used as cathode interlayers, while carbon nanofibers from PAA without melamine was used as an anode interlayer. At the rate of 0.1 C, the initial discharge capacity with two interlayers was 983 mAh g -1 , and faded down to 651 mAh g -1 after 100 cycles with the coulombic efficiency of 95.4%. At the rate of 1 C, the discharge capacity was kept to 380 mAh g -1 after 600 cycles with a coulombic efficiency of 98.8%. It apparently demonstrated that the cathode interlayer is extremely effective at shutting down the migration of polysulfide ions. The anode interlayer induced the lithium ions to form uniform lithium metal deposits confined on the fiber surface and in the bulk to strengthen the cycling stability of the lithium metal anode.
High-Performance Lithium-Sulfur Batteries with a Self-Assembled Multiwall Carbon Nanotube Interlayer and a Robust Electrode-Electrolyte Interface.

PubMed

Kim, Hee Min; Hwang, Jang-Yeon; Manthiram, Arumugam; Sun, Yang-Kook

2016-01-13

Elemental sulfur electrode has a huge advantage in terms of charge-storage capacity. However, the lack of electrical conductivity results in poor electrochemical utilization of sulfur and performance. This problem has been overcome to some extent previously by using a bare multiwall carbon nanotube (MWCNT) paper interlayer between the sulfur cathode and the polymeric separator, resulting in good electron transport and adsorption of dissolved polysulfides. To advance the interlayer concept further, we present here a self-assembled MWCNT interlayer fabricated by a facile, low-cost process. The Li-S cells fabricated with the self-assembled MWCNT interlayer and a high loading of 3 mg cm(-2) sulfur exhibit a first discharge specific capacity of 1112 mAh g(-1) at 0.1 C rate and retain 95.8% of the capacity at 0.5 C rate after 100 cycles as the self-assembled MWCNT interlayer facilitates good interfacial contact between the interlayer and the sulfur cathode and fast electron and lithium-ion transport while trapping and reutilizing the migrating polysulfides. The approach presented here has the potential to advance the commercialization feasibility of the Li-S batteries.
Effects of Electrospun Carbon Nanofibers’ Interlayers on High-Performance Lithium–Sulfur Batteries

PubMed Central

Gao, Tianji; Le, TrungHieu; Yang, Ying; Yu, Zhihao; Huang, Zhenghong; Kang, Feiyu

2017-01-01

Two different interlayers were introduced in lithium–sulfur batteries to improve the cycling stability with sulfur loading as high as 80% of total mass of cathode. Melamine was recommended as a nitrogen-rich (N-rich) amine component to synthesize a modified polyacrylic acid (MPAA). The electrospun MPAA was carbonized into N-rich carbon nanofibers, which were used as cathode interlayers, while carbon nanofibers from PAA without melamine was used as an anode interlayer. At the rate of 0.1 C, the initial discharge capacity with two interlayers was 983 mAh g−1, and faded down to 651 mAh g−1 after 100 cycles with the coulombic efficiency of 95.4%. At the rate of 1 C, the discharge capacity was kept to 380 mAh g−1 after 600 cycles with a coulombic efficiency of 98.8%. It apparently demonstrated that the cathode interlayer is extremely effective at shutting down the migration of polysulfide ions. The anode interlayer induced the lithium ions to form uniform lithium metal deposits confined on the fiber surface and in the bulk to strengthen the cycling stability of the lithium metal anode. PMID:28772731
Stability and Process of Destruction of Compressed Plate of Layered Composite Materials With Defects

NASA Astrophysics Data System (ADS)

Bokhoeva, L. A.; Rogov, V. E.; Chermoshentseva, A. S.; Lobanov, D. V.

2016-08-01

Interlayer defects in composite materials are a pressing problem, which affecting their performance characteristics. In this research, we considered the problem of the stability and of the fracture process of the compressed thin plate made of laminated composite materials with the interlayer defects. In this research we had got a critical equation for a plate with interlayer defect. The experiment showed the effect and the quantity of nano-dispersed additives on the mechanical properties of composite materials with interlayer defects.
Structural charge site influence on the interlayer hydration of expandable three-sheet clay minerals

USGS Publications Warehouse

Kerns, Raymond L.; Mankin, Charles J.

1968-01-01

Previous investigations have demonstrated the influences of interlayer cation composition, relative humidity, temperature, and magnitude of interlayer surface charge on the interlayer hydration of montmorillonites and vermiculites. It has been suggested that the sites of layer charge deficiencies may also have an influence upon the amount of hydration that can take place in the interlayers of expandable clay minerals. If the interlayer cation-to-layer bonds are considered as ideally electrostatic, the magnitude of the forces resisting expansion may be expressed as a form of Coulomb's law. If this effect is significant, expandable structures in which the charge-deficiency sites are predominantly in the tetrahedral sheet should have less pronounced swelling properties than should structures possessing charge deficiencies located primarily in the octahedral sheet.Three samples that differed in location of layer charge sites were selected for study. An important selection criterion was a non-correlation between tetrahedral charge sites and high surface-charge density, and between octahedral charge sites and low surface-charge density.The effects of differences in interlayer cation composition were eliminated by saturating portions of each sample with the same cations. Equilibrium (001) d values at controlled constant humidities were used as a measure of the relative degree of interlayer hydration.Although no correlation could be made between the degree of interlayer hydration and total surface-charge density, the investigation does not eliminate total surface-charge density as being significant to the swelling properties of three-sheet clay-mineral structures. The results do indicate a correlation between more intense expandability and predominance of charge deficiencies in the octahedral sheet. Conversely, less intense swelling behavior is associated with predominantly tetrahedral charge deficiencies.

CdS-pillared CoAl-layered double hydroxide nanosheets with superior photocatalytic activity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qiu, Yanqiang; Lin, Bizhou, E-mail: bzlin@hqu.edu.cn; Jia, Fangcao

Graphical abstract: - Highlights: • CdS nanocrystals were intercalated into CoAl-LDH interlayer. • The nanohybrid display superior visible-light photocatalytic activity. • A photoexcitation model for the pillared heterostructured system was proposed. - Abstract: A new nanohybrid was synthesized by mixing the positively charged 2D nanosheets of CoAl-layered double hydroxide (CoAl-LDH) and the negatively charged CdS nanosol suspensions. It was revealed that the CdS nanoparticles were intercalated into the interlayer region of CoAl-LDH with a spacing of 2.62 nm. The obtained nanohybrid exhibited a mesoporous texture with an expanded specific surface area of 62 m{sup 2} g{sup −1} and a superiormore » photocatalytic activity in the degradation of acid red with a reaction constant of 1.26 × 10{sup −2} min{sup −1} under visible-light radiation, which is more than 2 times those of his parents CoAl-LDH and CdS.« less
Spectral properties of excitons in the bilayer graphene

NASA Astrophysics Data System (ADS)

Apinyan, V.; Kopeć, T. K.

2018-01-01

In this paper, we consider the spectral properties of the bilayer graphene with the local excitonic pairing interaction between the electrons and holes. We consider the generalized Hubbard model, which includes both intralayer and interlayer Coulomb interaction parameters. The solution of the excitonic gap parameter is used to calculate the electronic band structure, single-particle spectral functions, the hybridization gap, and the excitonic coherence length in the bilayer graphene. We show that the local interlayer Coulomb interaction is responsible for the semimetal-semiconductor transition in the double layer system, and we calculate the hybridization gap in the band structure above the critical interaction value. The formation of the excitonic band gap is reported as the threshold process and the momentum distribution functions have been calculated numerically. We show that in the weak coupling limit the system is governed by the Bardeen-Cooper-Schrieffer (BCS)-like pairing state. Contrary, in the strong coupling limit the excitonic condensate states appear in the semiconducting phase, by forming the Dirac's pockets in the reciprocal space.
Synthesising methods of layered double hydroxides and its use in the fabrication of dye Sensitised solar cell (DSSC): A short review

NASA Astrophysics Data System (ADS)

George, Giphin; Saravanakumar, M. P.

2017-11-01

The layered double hydroxides (LDH) which are anionic clay substances comprising of stacked cationic layers and interlayer anions. The cationic sheets contain octahedral structure consisting the divalent and trivalent ions in the center and hydroxyl bunches in the corners, gathered by three bonding with the neighbouring octahedra on every side of the layer. The ratio between the quantity of cations and OH- ions is 2:1, so a positive charge shows up on the layer because of the presence of trivalent cations. The interlayer space gives the compensation anions and water molecules, assuring a balanced out layered structure. The LDH materials were successfully synthesised from magnesium, aluminium, zinc and chromium chloride salts utilizing the co-precipitation technique. A Zn-Al LDH was researched as a potential sorbent material. This article reviews the recent advances in the preparation and intercalation of layered double hydroxides and its application in the fabrication of Dye Sensitized Solar Cell (DSSC).
The investigation of Ga-doped ZnO as an interlayer for ohmic contact to Cd1-xZnxTe films

NASA Astrophysics Data System (ADS)

Shen, Yibin; Huang, Jian; Gu, Qingmiao; Meng, Hua; Tang, Ke; Shen, Yue; Zhang, Jijun; Wang, Linjun; Lu, Yicheng

2017-12-01

In this work, high quality Cd1-xZnxTe films were prepared on fluorine doped tin oxide (FTO) glass substrates by close-spaced sublimation (CSS) method. A low resistivity sputtered Ga-doped ZnO (GZO) film was used as an interlayer between Au electrodes and Cd1-xZnxTe films try to reduce the contact resistance and contribute to bring about a better Ohmic contact. Circular transmission line model (CTLM) was adopted to investigate the effects of GZO intermediate layer on the contact properties of Au/GZO/Cd1-xZnxTe structure. The results show a low contact resistivity of 0.37 Ω cm2 for Au/GZO contacts on Cd1-xZnxTe films. Cd1-xZnxTe film radiation detectors were also fabricated using Au/GZO contacts and an energy resolution of about 28% was obtained from a 60 KeV 241Am γ-ray source for the first time.
One-dimensional nanowires of pseudoboehmite (aluminum oxyhydroxide γ-AlOOH)

PubMed Central

Iijima, Sumio; Yumura, Takashi; Liu, Zheng

2016-01-01

We report the discovery of a 1D crystalline structure of aluminum oxyhydroxide. It was found in a commercial product of fibrous pseudoboehmite (PB), γ-AlOOH, synthesized easily with low cost. The thinnest fiber found was a ribbon-like structure of only two layers of an Al–O octahedral double sheet having a submicrometer length along its c axis and 0.68-nm thickness along its b axis. This thickness is only slightly larger than half of the lattice parameter of the b-axis unit cell of the boehmite crystal (b/2 = 0.61 nm). Moreover, interlayer splittings having an average width of 1 nm inside the fibrous PB are found. These wider interlayer spaces may have intercalation of water, which is suggested by density functional theory (DFT) calculation. The fibers appear to grow as almost isolated individual filaments in aqueous Al-hydroxide sols and the growth direction of fibrous PB is always along its c axis. PMID:27708158
Mixing Acid Salts and Layered Double Hydroxides in Nanoscale under Solid Condition

PubMed Central

Nakayama, Hirokazu; Hayashi, Aki

2014-01-01

The immobilization of potassium sorbate, potassium aspartate and sorbic acid in layered double hydroxide under solid condition was examined. By simply mixing two solids, immobilization of sorbate and aspartate in the interlayer space of nitrate-type layered double hydroxide, so called intercalation reaction, was achieved, and the uptakes, that is, the amount of immobilized salts and the interlayer distances of intercalation compounds were almost the same as those obtained in aqueous solution. However, no intercalation was achieved for sorbic acid. Although intercalation of sorbate and aspartate into chloride-type layered double hydroxide was possible, the uptakes for these intercalation compounds were lower than those obtained using nitrate-type layered double hydroxide. The intercalation under solid condition could be achieved to the same extent as for ion-exchange reaction in aqueous solution, and the reactivity was similar to that observed in aqueous solution. This method will enable the encapsulation of acidic drug in layered double hydroxide as nano level simply by mixing both solids. PMID:25080007
Preparation and characterization of an anti-inflammatory agent based on a zinc-layered hydroxide-salicylate nanohybrid and its effect on viability of Vero-3 cells

PubMed Central

Ramli, Munirah; Hussein, Mohd Zobir; Yusoff, Khatijah

2013-01-01

A new organic-inorganic nanohybrid based on zinc-layered hydroxide intercalated with an anti-inflammatory agent was synthesized through direct reaction of salicylic acid at various concentrations with commercially available zinc oxide. The basal spacing of the pure phase nanohybrid was 15.73 Å, with the salicylate anions arranged in a monolayer form and an angle of 57 degrees between the zinc-layered hydroxide interlayers. Fourier transform infrared study further confirmed intercalation of salicylate into the interlayers of zinc-layered hydroxide. The loading of salicylate in the nanohybrid was estimated to be around 29.66%, and the nanohybrid exhibited the properties of a mesoporous-type material, with greatly enhanced thermal stability of the salicylate compared with its free counterpart. In vitro cytotoxicity assay revealed that free salicylic acid, pure zinc oxide, and the nanohybrid have a mild effect on viability of African green monkey kidney (Vero-3) cells. PMID:23345976
Mixing Acid Salts and Layered Double Hydroxides in Nanoscale under Solid Condition.

PubMed

Nakayama, Hirokazu; Hayashi, Aki

2014-07-30

The immobilization of potassium sorbate, potassium aspartate and sorbic acid in layered double hydroxide under solid condition was examined. By simply mixing two solids, immobilization of sorbate and aspartate in the interlayer space of nitrate-type layered double hydroxide, so called intercalation reaction, was achieved, and the uptakes, that is, the amount of immobilized salts and the interlayer distances of intercalation compounds were almost the same as those obtained in aqueous solution. However, no intercalation was achieved for sorbic acid. Although intercalation of sorbate and aspartate into chloride-type layered double hydroxide was possible, the uptakes for these intercalation compounds were lower than those obtained using nitrate-type layered double hydroxide. The intercalation under solid condition could be achieved to the same extent as for ion-exchange reaction in aqueous solution, and the reactivity was similar to that observed in aqueous solution. This method will enable the encapsulation of acidic drug in layered double hydroxide as nano level simply by mixing both solids.
Facile synthesis of Co3O4 hexagonal plates by flux method

NASA Astrophysics Data System (ADS)

Han, Ji-Long; Meng, Qing-Fen; Gao, Sheng-Li

2018-01-01

Using a novel flux method, a hexagonal plate of Co3O4 was directly synthesized. In this method, CoCl2·6H2O, NaOH, and the cosolvent H3BO3 were heated to 750 °C for 2 h in a corundum crucible. The products were characterized with X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), and high-resolution transmission electron microscope (HRTEM). Furthermore, XRD studies indicated that the product consisted of a cubic phase of Co3O4, and the phase existed in a completely crystalline form. Then, SEM results indicated that these hexagonal plates tiered up and they had diameters in the range of 2-10 μm. According to the results of SAED and HRTEM analyses, the interlayer spacing was about 0.24 nm, which corresponds to the interlayer distance of (3 1 1) crystal plane of cubic Co3O4.
Preparation and Bond Properties of Thermal Barrier Coatings on Mg Alloy with Sprayed Al or Diffused Mg-Al Intermetallic Interlayer

NASA Astrophysics Data System (ADS)

Fan, Xizhi; Wang, Ying; Zou, Binglin; Gu, Lijian; Huang, Wenzhi; Cao, Xueqiang

2014-02-01

Sprayed Al or diffused Mg-Al layer was designed as interlayer between the thermal barrier coatings (TBCs) and Mg alloy substrate. The effects of the interlayer on the bond properties of the coats were investigated. Al layers were prepared by arc spraying and atmospheric plasma spraying (APS), respectively. Mg-Al diffused layer was obtained after the heat treatment of the sprayed sample (Mg alloy with APS Al coat) at 400 °C. The results show that sprayed Al interlayer does not improve the bond stability of TBCs. The failure of the TBCs on Mg alloy with Al interlayer occurs mainly due to the low strength of Al layer. Mg-Al diffused layer improves corrosion resistance of substrate and the bond interface. The TBCs on Mg alloy with Mg-Al diffused interlayer shows better bond stability than the sample of which the TBCs is directly sprayed on Mg alloy substrate by APS.
Intercalation of gaseous thiols and sulfides into Ag+ ion-exchanged aluminum dihydrogen triphosphate.

PubMed

Hayashi, Aki; Saimen, Hiroki; Watanabe, Nobuaki; Kimura, Hitomi; Kobayashi, Ayumi; Nakayama, Hirokazu; Tsuhako, Mitsutomo

2005-08-02

Ag(+) ion-exchanged layered aluminum dihydrogen triphosphate (AlP) with the interlayer distance of 0.85 nm was synthesized by the ion-exchange of proton in triphosphate with Ag(+) ion. The amount of exchanged Ag(+) ion depended on the concentration of AgNO(3) aqueous solution. Ag(+) ion-exchanged AlP adsorbed gaseous thiols and sulfides into the interlayer region. The adsorption amounts of thiols were more than those of sulfides, thiols with one mercapto group > thiol with two mercapto groups > sulfides, and depended on the amount of exchanged Ag(+) ion in the interlayer region. The thiols with one mercapto group were intercalated to expand the interlayer distance of Ag(+) ion-exchanged AlP, whereas there was no expansion in the adsorption of sulfide. In the case of thiol with two mercapto groups, there was observed contraction of the interlayer distance through the bridging with Ag(+) ions of the upper and lower sides of the interlayer region.
Evidence for Interlayer Collapse of Nontronite on Mars from Laboratory Visible and Near-IR Reflective Spectra

NASA Technical Reports Server (NTRS)

Morris, Richard V.; Ming, D. W.; Golden, D. C.; Graff, T. G.; Achilles, C. N.

2010-01-01

Dioctahedral smectites (e.g., nontronite and montmorillionite) are interpreted to occupy the optical surface of Mars at a number of locations on the basis of spectral features derived from interlayer H2O and MOH (M=Fe(3+)2, Fe(3+)Al, Al2, etc.) as observed by orbiting MRO-CRISM and MEx-OMEGA hyperspectral imaging spectrometers. At wavelengths shorter than approximately 2.7 micrometers, the strongest bands from interlayer H2O occur at approximately 1.4 and 1.9 micrometers from 2v1 and v1+v2, respectively, where v1 and v2 are the fundamental stretching and bending vibrations of the H2O molecule. Smectite MOH vibrations occur near 1.4 micrometers (stretching overtone) and in the region between 2.1 and 2.7 micrometers (stretching + bending combination). Because interlayer H2O can exchange with the martian environment, a number of studies have examined the strength of the interlayer H2O spectral features under Mars-like environmental conditions. The relationship between spectral properties and the underlying crystal structure of the smectites was not determined, and the extent of interlayer H2O removal was not established. We report combined visible and near-IR (VNIR), Mossbauer (MB), and powder X-ray diffraction (XRD) data for samples of the Fe-bearing smectite nontronite where the interlayer was collapsed by complete removal of interlayer H2O.
Trap-assisted tunneling in aluminum-doped ZnO/indium oxynitride nanodot interlayer Ohmic contacts on p-GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ke, Wen-Cheng, E-mail: wcke@mail.ntust.edu.tw; Yang, Cheng-Yi; Lee, Fang-Wei

2015-10-21

This study developed an Ohmic contact formation method for a ZnO:Al (AZO) transparent conductive layer on p-GaN films involving the introduction of an indium oxynitride (InON) nanodot interlayer. An antisurfactant pretreatment was used to grow InON nanodots on p-GaN films in a RF magnetron sputtering system. A low specific contact resistance of 1.12 × 10{sup −4} Ω cm{sup 2} was achieved for a sample annealed at 500 °C for 30 s in nitrogen ambient and embedded with an InON nanodot interlayer with a nanodot density of 6.5 × 10{sup 8} cm{sup −2}. By contrast, a sample annealed in oxygen ambient exhibited non-Ohmic behavior. X-ray photoemission spectroscopy resultsmore » showed that the oxygen vacancy (V{sub o}) in the InON nanodots played a crucial role in carrier transport. The fitting I–V characteristic curves indicated that the hopping mechanism with an activation energy of 31.6 meV and trap site spacing of 1.1 nm dominated the carrier transport in the AZO/InON nanodot/p-GaN sample. Because of the high density of donor-like oxygen vacancy defects at the InON nanodot/p-GaN interface, positive charges from the underlying p-GaN films were absorbed at the interface. This led to positive charge accumulation, creating a narrow depletion layer; therefore, carriers from the AZO layer passed through InON nanodots by hopping transport, and subsequently tunneling through the interface to enter the p-GaN films. Thus, AZO Ohmic contact can be formed on p-GaN films by embedding an InON nanodot interlayer to facilitate trap-assisted tunneling.« less
Evaluation of asphalt rubber membrane interlayer (ARMI) using the University of Florida's composite system interface cracking (CSIC) test.

DOT National Transportation Integrated Search

2012-05-01

Since the late 1970s, FDOT : has applied an interlayer : of Asphalt Rubber : Membrane Interlayer : (ARMI) to asphalt roadway : surfaces. ARMI layers are : constructed by spraying : asphalt rubber binder onto : the asphalt, covering the : layer with n...
Evaluation of asphalt rubber membrane interlayer (ARMI) using the University of Florida's composite system interface cracking (CSIC) test [summary].

DOT National Transportation Integrated Search

2012-01-01

Since the late 1970s, FDOT : has applied an interlayer : of Asphalt Rubber : Membrane Interlayer : (ARMI) to asphalt roadway : surfaces. ARMI layers are : constructed by spraying : asphalt rubber binder onto : the asphalt, covering the : layer with n...
FAST TRACK COMMUNICATION: Interlayer exchange coupling across a ferroelectric barrier

NASA Astrophysics Data System (ADS)

Zhuravlev, M. Ye; Vedyayev, A. V.; Tsymbal, E. Y.

2010-09-01

A new magnetoelectric effect is predicted originating from the interlayer exchange coupling between two ferromagnetic layers separated by an ultrathin ferroelectric barrier. It is demonstrated that ferroelectric polarization switching driven by an external electric field leads to a sizable change in the interlayer exchange coupling. The effect occurs in asymmetric ferromagnet/ferroelectric/ferromagnet junctions due to a change in the electrostatic potential profile across the junction affecting the interlayer coupling. The predicted phenomenon indicates the possibility of switching the magnetic configuration by reversing the polarization of the ferroelectric barrier layer.
In0.15Ga0.85N visible-light metal-semiconductor-metal photodetector with GaN interlayers deposited by pulsed NH3

NASA Astrophysics Data System (ADS)

Wang, Hongxia; Zhang, Xiaohan; Wang, Hailong; Lv, Zesheng; Li, Yongxian; Li, Bin; Yan, Huan; Qiu, Xinjia; Jiang, Hao

2018-05-01

InGaN visible-light metal-semiconductor-metal photodetectors with GaN interlayers deposited by pulsed NH3 were fabricated and characterized. By periodically inserting the GaN thin interlayers, the surface morphology of InGaN active layer is improved and the phase separation is suppressed. At 5 V bias, the dark current reduced from 7.0 × 10-11 A to 7.0 × 10-13 A by inserting the interlayers. A peak responsivity of 85.0 mA/W was measured at 420 nm and 5 V bias, corresponding to an external quantum efficiency of 25.1%. The insertion of GaN interlayers also lead to a sharper spectral response cutoff.
Mechanical characterization and modeling of brazed tungsten and Cu-Cr-Zr alloy using stress relief interlayers

NASA Astrophysics Data System (ADS)

Qu, Dandan; Zhou, Zhangjian; Yum, Youngjin; Aktaa, Jarir

2014-12-01

A rapidly solidified foil-type Ti-Zr based amorphous filler with a melting temperature of 850 °C was used to braze tungsten to Cu-Cr-Zr alloy for water cooled divertors and plasma facing components application. Brazed joints of dissimilar materials suffer from a mismatch in coefficients of thermal expansion. In order to release the residual stress caused by the mismatch, brazed joints of tungsten and Cu-Cr-Zr alloy using different interlayers were studied. The shear strength tests of brazed W/Cu joints show that the average strength of the joint with a W70Cu30 composite plate interlayer reached 119.8 MPa, and the average strength of the joint with oxygen free high conductivity copper (OFHC Cu)/Mo multi-interlayers reached 140.8 MPa, while the joint without interlayer was only 16.6 MPa. Finite element method (FEM) has been performed to investigate the stress distribution and effect of stress relief interlayers. FEM results show that the maximum von Mises stress occurs in the tungsten/filler interface and that the filler suffers the peak residual stresses and becomes the weakest zone. And the use of OFHC Cu/Mo multi-interlayers can reduce the residual stress significantly, which agrees with the mechanical experiment data.
A β-Ta system for current induced magnetic switching in the absence of external magnetic field

NASA Astrophysics Data System (ADS)

Chen, Wenzhe; Qian, Lijuan; Xiao, Gang

2018-05-01

Magnetic switching via Giant Spin Hall Effect (GSHE) has received great interest for its role in developing future spintronics logic or memory devices. In this work, a new material system (i.e. a transition metal sandwiched between two ferromagnetic layers) with interlayer exchange coupling is introduced to realize the deterministic field-free perpendicular magnetic switching. This system uses β-Ta, as the GSHE agent to generate a spin current and as the interlayer exchange coupling medium to generate an internal field. The critical switching current density at zero field is on the order of 106 A/cm2 due to the large spin Hall angle of β-Ta. The internal field, along with switching efficiency, depends strongly on the orthogonal magnetization states of two ferromagnetic coupling layers in this system.
Wrinkle-free graphene electrodes in zinc tin oxide thin-film transistors for large area applications.

PubMed

Lee, Se-Hee; Kim, Jae-Hee; Park, Byeong-Ju; Park, Jozeph; Kim, Hyun-Suk; Yoon, Soon-Gil

2017-02-17

Wrinkle-free graphene was used to form the source-drain electrodes in thin film transistors based on a zinc tin oxide (ZTO) semiconductor. A 10 nm thick titanium adhesion layer was applied prior to transferring a conductive graphene film on top of it by chemical detachment. The formation of an interlayer oxide between titanium and graphene allows the achievement of uniform surface roughness over the entire substrate area. The resulting devices were thermally treated in ambient air, and a substantial decrease in field effect mobility is observed with increasing annealing temperature. The increase in electrical resistivity of the graphene film at higher annealing temperatures may have some influence, however the growth of the oxide interlayer at the ZTO/Ti boundary is suggested to be most influential, thereby inducing relatively high contact resistance.

Wrinkle-free graphene electrodes in zinc tin oxide thin-film transistors for large area applications

NASA Astrophysics Data System (ADS)

Lee, Se-Hee; Kim, Jae-Hee; Park, Byeong-Ju; Park, Jozeph; Kim, Hyun-Suk; Yoon, Soon-Gil

2017-02-01

Wrinkle-free graphene was used to form the source-drain electrodes in thin film transistors based on a zinc tin oxide (ZTO) semiconductor. A 10 nm thick titanium adhesion layer was applied prior to transferring a conductive graphene film on top of it by chemical detachment. The formation of an interlayer oxide between titanium and graphene allows the achievement of uniform surface roughness over the entire substrate area. The resulting devices were thermally treated in ambient air, and a substantial decrease in field effect mobility is observed with increasing annealing temperature. The increase in electrical resistivity of the graphene film at higher annealing temperatures may have some influence, however the growth of the oxide interlayer at the ZTO/Ti boundary is suggested to be most influential, thereby inducing relatively high contact resistance.
Cellulose Nanocrystal Templated Graphene Nanoscrolls for High Performance Supercapacitors and Hydrogen Storage: An Experimental and Molecular Simulation Study.

PubMed

Dhar, Prodyut; Gaur, Surendra Singh; Kumar, Amit; Katiyar, Vimal

2018-03-01

Graphene nanoscrolls (GNS), due to their remarkably interesting properties, have attracted significant interest with applications in various engineering sectors. However, uncontrolled morphologies, poor yield and low quality GNS produced through traditional routes are major challenges associated. We demonstrate sustainable approach of utilizing bio-derived cellulose nanocrystals (CNCs) as template for fabrication of GNS with tunable morphological dimensions ranging from micron-to-nanoscale(controlled length < 1 μm or >1 μm), alongwith encapsulation of catalytically active metallic-species in scroll interlayers. The surface-modified magnetic CNCs acts as structural-directing agents which provides enough momentum to initiate self-scrolling phenomenon of graphene through van der Waals forces and π-π interactions, mechanism of which is demonstrated through experimental and molecular simulation studies. The proposed approach of GNS fabrication provides flexibility to tune physico-chemical properties of GNS by simply varying interlayer spacing, scrolling density and fraction of encapsulated metallic nanoparticles. The hybrid GNS with confined palladium or platinum nanoparticles (at lower loading ~1 wt.%) shows enhanced hydrogen storage capacity (~0.2 wt.% at~20 bar and ~273 K) and excellent supercapacitance behavior (~223-357 F/g) for prolonged cycles (retention ~93.5-96.4% at ~10000 cycles). The current strategy of utilizing bio-based templates can be further extended to incorporate complex architectures or nanomaterials in GNS core or inter-layers, which will potentially broaden its applications in fabrication of high-performance devices.
Phonon exchange by two-dimensional electrons in intermediate magnetic fields

NASA Astrophysics Data System (ADS)

Gopalakrishnan, Gokul

The discovery of the integer and fractional quantum Hall effects have broadened the exploration of the two-dimensional electron gas to regimes where complex and exciting physics lay previously hidden. While many experimental investigations have focused on the regime of large magnetic fields where transport properties are determined by contributions from a single Landau level, the regime of intermediate fields, where multiple Landau levels are involved, has been much less explored. This dissertation is a report on a previously unobserved interaction probed by a novel type of magneto-transport measurement performed in this intermediate regime, in bilayer two-dimensional electron systems. This measurement technique, known as electron drag, directly measures interlayer electron-electron scattering rates, by measuring the voltage induced in one of the layers when a current is driven through the other. The scattering mechanism, which may be Coulomb or phonon mediated, depends critically on both the separation between the layers and the electron density. When electron drag is measured in the presence of a perpendicular magnetic field in suitable samples, the resulting magnetodrag signal reveals new information about the electronic states as well as properties of a phonon mediated scattering mechanism. This phonon scattering mechanism is reflected in previously unobserved oscillations. These oscillations, which are periodic in the inverse field, are argued to arise from a resonant interlayer exchange of 2 kF phonons. Measurements of the temperature, density and layer-spacing dependences of magnetodrag resistivity are reported and are shown to confirm this particular mechanism. Additionally, analysis of the temperature dependence reveals a strong sensitivity to Landau level widths. Based on this analysis, a means of characterizing the broadening of Landau levels and hence, electronic lifetimes in this regime, which are otherwise difficult to characterize, is proposed.
Radiocesium interaction with clay minerals: Theory and simulation advances Post-Fukushima.

PubMed

Okumura, Masahiko; Kerisit, Sebastien; Bourg, Ian C; Lammers, Laura N; Ikeda, Takashi; Sassi, Michel; Rosso, Kevin M; Machida, Masahiko

2018-04-14

Insights at the microscopic level of the process of radiocesium adsorption and interaction with clay mineral particles have improved substantially over the past several years, triggered by pressing social issues such as management of huge amounts of waste soil accumulated after the Fukushima Dai-ichi nuclear power plant accident. In particular, computer-based molecular modeling supported by advanced hardware and algorithms has proven to be a powerful approach. Its application can now generally encompass the full complexity of clay particle adsorption sites from basal surfaces to interlayers with inserted water molecules, to edges including fresh and weathered frayed ones. On the other hand, its methodological schemes are now varied from traditional force-field molecular dynamics on large-scale realizations composed of many thousands of atoms including water molecules to first-principles methods on smaller models in rather exacting fashion. In this article, we overview new understanding enabled by simulations across methodological variations, focusing on recent insights that connect with experimental observations, namely: 1) the energy scale for cesium adsorption on the basal surface, 2) progress in understanding the structure of clay edges, which is difficult to probe experimentally, 3) cesium adsorption properties at hydrated interlayer sites, 4) the importance of the size relationship between the ionic radius of cesium and the interlayer distance at frayed edge sites, 5) the migration of cesium into deep interlayer sites, and 6) the effects of nuclear decay of radiocesium. Key experimental observations that motivate these simulation advances are also summarized. Furthermore, some directions toward future solutions of waste soil management are discussed based on the obtained microscopic insights. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.
Thermal conductivity predictions of herringbone graphite nanofibers using molecular dynamics simulations.

PubMed

Khadem, Masoud H; Wemhoff, Aaron P

2013-02-28

Non-equilibrium molecular dynamics (NEMD) simulations are used to investigate the thermal conductivity of herringbone graphite nanofibers (GNFs) at room temperature by breaking down the axial and transverse conductivity values into intralayer and interlayer components. The optimized Tersoff potential is used to account for intralayer carbon-carbon interactions while the Lennard-Jones potential is used to model the interlayer carbon-carbon interactions. The intralayer thermal conductivity of the graphene layers near room temperature is calculated for different crease angles and number of layers using NEMD with a constant applied heat flux. The edge effect on a layer's thermal conductivity is investigated by computing the thermal conductivity values in both zigzag and armchair directions of the heat flow. The interlayer thermal conductivity is also predicted by imposing hot and cold Nosé-Hoover thermostats on two layers. The limiting case of a 90° crease angle is used to compare the results with those of single-layer graphene and few-layer graphene. The axial and transverse thermal conductivities are then calculated using standard trigonometric conversions of the calculated intralayer and interlayer thermal conductivities, along with calculations of few-layer graphene without a crease. The results show a large influence of the crease angle on the intralayer thermal conductivity, and the saturation of thermal conductivity occurs when number of layers is more than three. The axial thermal conductivity, transverse thermal conductivity in the crease direction, and transverse thermal conductivity normal to the crease for the case of a five-layer herringbone GNF with a 45° crease angle are calculated to be 27 W∕m K, 263 W∕m K, and 1500 W∕m K, respectively, where the axial thermal conductivity is in good agreement with experimental measurements.
An elasto-plastic solution for channel cracking of brittle coating on polymer substrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Chao; Chen, Fangliang; Gray, Matthew H.

In this study, an elasto-plastic channel-cracking model is presented to study the open-mode fracture of a thin layer brittle coating grown on a polymer substrate. A linear elastic shear interlayer is introduced to describe the stress transfer from the elasto-plastic substrate to the brittle coating, on basis of the shear-lag principle. The channel cracking behavior involves three stages: elastic, elasto-plastic and plastic stages, which are solved in a continuous manner based on the deformation status of the substrate. Explicit solutions are derived for the mutli-stage cracking process. Corresponding experimental tests for a titanium oxide (TiO 2) coating on a polymore » (ethylene terephthalate) substrate are conducted. The fracture toughness of the coating layer is estimated based on the crack spacing versus layer thickness relationship at certain strain levels. This method is found to be more reliable than the traditional methods using crack onset strain. Parametric studies of the fracture energy release rate for the coating and interfacial compliance of the thin film system are conducted, through which the effect of plastic deformation on the channel cracking behavior is studied extensively. The results indicate that the tangent modulus of the substrate controls the evolution curvature of crack spacing where a smaller tangent modulus corresponds to a slower saturation of crack spacing. The energy release rate also varies significantly with the properties of the interlayer. The study highlights the necessity of an elasto-plastic model for the thin film systems of brittle coating on a plastic substrate.« less
Spin polarized and density modulated phases in symmetric electron-electron and electron-hole bilayers.

PubMed

Kumar, Krishan; Moudgil, R K

2012-10-17

We have studied symmetric electron-electron and electron-hole bilayers to explore the stable homogeneous spin phase and the feasibility of inhomogeneous charge-/spin-density ground states. The former is resolved by comparing the ground-state energies in states of different spin polarizations, while the latter is resolved by searching for a divergence in the wavevector-dependent static charge/spin susceptibility. For this endeavour, we have used the dielectric approach within the self-consistent mean-field theory of Singwi et al. We find that the inter-layer interactions tend to change an abrupt spin-polarization transition of an isolated layer into a nearly gradual one, even though the partially spin-polarized phases are not clearly stable within the accuracy of our calculation. The transition density is seen to decrease with a reduction in layer spacing, implying a suppression of spin polarization by inter-layer interactions. Indeed, the suppression shows up distinctly in the spin susceptibility computed from the spin-polarization dependence of the ground-state energy. However, below a critical layer spacing, the unpolarized liquid becomes unstable against a charge-density-wave (CDW) ground state at a density preceding full spin polarization, with the transition density for the CDW state increasing on further reduction in the layer spacing. Due to attractive e-h correlations, the CDW state is found to be more pronounced in the e-h bilayer. On the other hand, the static spin susceptibility diverges only in the long-wavelength limit, which simply represents a transition to the homogeneous spin-polarized phase.
An elasto-plastic solution for channel cracking of brittle coating on polymer substrate

DOE PAGES

Zhang, Chao; Chen, Fangliang; Gray, Matthew H.; ...

2017-04-25

In this study, an elasto-plastic channel-cracking model is presented to study the open-mode fracture of a thin layer brittle coating grown on a polymer substrate. A linear elastic shear interlayer is introduced to describe the stress transfer from the elasto-plastic substrate to the brittle coating, on basis of the shear-lag principle. The channel cracking behavior involves three stages: elastic, elasto-plastic and plastic stages, which are solved in a continuous manner based on the deformation status of the substrate. Explicit solutions are derived for the mutli-stage cracking process. Corresponding experimental tests for a titanium oxide (TiO 2) coating on a polymore » (ethylene terephthalate) substrate are conducted. The fracture toughness of the coating layer is estimated based on the crack spacing versus layer thickness relationship at certain strain levels. This method is found to be more reliable than the traditional methods using crack onset strain. Parametric studies of the fracture energy release rate for the coating and interfacial compliance of the thin film system are conducted, through which the effect of plastic deformation on the channel cracking behavior is studied extensively. The results indicate that the tangent modulus of the substrate controls the evolution curvature of crack spacing where a smaller tangent modulus corresponds to a slower saturation of crack spacing. The energy release rate also varies significantly with the properties of the interlayer. The study highlights the necessity of an elasto-plastic model for the thin film systems of brittle coating on a plastic substrate.« less
Ultra-light Hierarchical Graphene Electrode for Binder-Free Supercapacitors and Lithium-Ion Battery Anodes.

PubMed

Zuo, Zicheng; Kim, Tae Young; Kholmanov, Iskandar; Li, Huifeng; Chou, Harry; Li, Yuliang

2015-10-07

A mild and environmental-friendly method is developed for fabricating a 3D interconnected graphene electrode with large-scale continuity. Such material has interlayer pores between reduced graphene oxide nanosheets and in-plane pores. Hence, a specific surface area up to 835 m(2) g(-1) and a high powder conductivity up to 400 S m(-1) are achieved. For electrochemical applications, the interlayer pores can serve as "ion-buffering reservoirs" while in-plane ones act as "channels" for shortening the mass cross-plane diffusion length, reducing the ion response time, and prevent the interlayer restacking. As binder-free supercapacitor electrode, it delivers a specific capacitance up to 169 F g(-1) with surface-normalized capacitance close to 21 μF cm(-2) (intrinsic capacitance) and power density up to 7.5 kW kg(-1), in 6 m KOH aqueous electrolyte. In the case of lithium-ion battery anode, it shows remarkable advantages in terms of the initiate reversible Coulombic efficiency (61.3%), high specific capacity (932 mAh g(-1) at 100 mA g(-1)), and robust long-term retention (93.5% after 600 cycles at 2000 mAh g(-1)). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Germanene on single-layer ZnSe substrate: novel electronic and optical properties.

PubMed

Ye, H Y; Hu, F F; Tang, H Y; Yang, L W; Chen, X P; Wang, L G; Zhang, G Q

2018-06-01

In this work, the structural, electronic and optical properties of germanene and ZnSe substrate nanocomposites have been investigated using first-principles calculations. We found that the large direct-gap ZnSe semiconductors and zero-gap germanene form a typical orbital hybridization heterostructure with a strong binding energy, which shows a moderate direct band gap of 0.503 eV in the most stable pattern. Furthermore, the heterostructure undergoes semiconductor-to-metal band gap transition when subjected to external out-of-plane electric field. We also found that applying external strain and compressing the interlayer distance are two simple ways of tuning the electronic structure. An unexpected indirect-direct band gap transition is also observed in the AAII pattern via adjusting the interlayer distance. Quite interestingly, the calculated results exhibit that the germanene/ZnSe heterobilayer structure has perfect optical absorption in the solar spectrum as well as the infrared and UV light zones, which is superior to that of the individual ZnSe substrate and germanene. The staggered interfacial gap and tunability of the energy band structure via interlayer distance and external electric field and strain thus make the germanene/ZnSe heterostructure a promising candidate for field effect transistors (FETs) and nanoelectronic applications.
Application of an alkylammonium method for characterization of phyllosilicates in CI chondrites

NASA Technical Reports Server (NTRS)

Golden, D. C.; Ming, D. W.; Zolensky, M. E.; Yang, S. V.

1994-01-01

Many meteorites and interplanetary dust particles (IDP's) with primitive compositions contain significant amounts of phyllosilicates, which are generally interpreted as evidence of protoplanetary aqueous alteration at an early period in the solar system. These meteorites are chondrites of the carbonaceous and ordinary varieties. Characterization of phyllosilicates in these materials is important because of the important physico-chemical information they hold, e.g., from well characterized phyllosilicates, thermodynamic stability relations and hence the conditions of formation of phyllosilicates in the parent body of the meteorite can be predicted. Although we are at a rudimentary level of understanding of the minerals resulting from the aqueous alteration in the early solar nebula, we know that the most common phyllosilicates present in chondritic extraterrestrial materials are serpentines, smectites, chlorites, and micas. The characterization of fine grained minerals in meteorites and IDP's rely heavily on electron beam instruments, especially transmission electron microscopy (TEM). Typically, phyllosilicates are identified by a combination of high resolution imaging of basal spacings, electron diffraction analysis, and chemical analysis. Smectites can be difficult to differentiate from micas because the smectites loose their interlayer water and the interlayers collapse to the same basal spacing as mica in the high vacuum of the TEM. In high-resolution TEM (HRTEM) images, smectite basal spacings vary from 1 nm up to 1.5 nm, while micas show 1 or 2 nm basal spacings. Not only is it difficult to differentiate smectites from micas, but there is no way of identifying different classes of smectites in meteorites and IDP's. To differentiate smectites from micas and also to recognize the charge differences among smectites, an alkylammonium method can be employed because the basal spacings of alkylammonium saturated smectites expand as a function of alkylamine chain length and the layer-charge density of the 2:1 expanding phyllosilicate, and the final product is significantly more stable under electron beam examination. Such a method was tested on standard clays and several meteorite samples using four alkylammonium salts.
Pseudocapacitive Sodium Storage by Ferroelectric Sn2 P2 S6 with Layered Nanostructure.

PubMed

Huang, Sheng; Meng, Chao; Xiao, Min; Ren, Shan; Wang, Shuanjin; Han, Dongmei; Li, Yuning; Meng, Yuezhong

2018-04-19

Sodium ion batteries (SIB) are considered promising alternative candidates for lithium ion batteries (LIB) because of the wide availability and low cost of sodium, therefore the development of alternative sodium storage materials with comparable performance to LIB is urgently desired. The sodium ions with larger sizes resist intercalation or alloying because of slow reaction kinetics. Most pseudocapacitive sodium storage materials are based on subtle nanomaterial engineering, which is difficult for large-scale production. Here, ferroelectric Sn 2 P 2 S 6 with layered nanostructure is developed as sodium ion storage material. The ferroelectricity-enhanced pseudocapacitance of sodium ion in the interlayer spacing makes the electrochemical reaction easier and faster, endowing the Sn 2 P 2 S 6 electrode with excellent rate capability and cycle stability. Furthermore, the facile solid state reaction synthesis and common electrode fabrication make the Sn 2 P 2 S 6 that becomes a promising anode material of SIB. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Structural phase transition causing anomalous photoluminescence behavior in perovskite (C6H11NH3)2[PbI4

NASA Astrophysics Data System (ADS)

Yangui, A.; Pillet, S.; Mlayah, A.; Lusson, A.; Bouchez, G.; Triki, S.; Abid, Y.; Boukheddaden, K.

2015-12-01

Optical and structural properties of the organic-inorganic hybrid perovskite-type (C6H11NH3)2[PbI4] (abbreviated as C6PbI4) were investigated using optical absorption, photoluminescence (PL), and x-ray diffraction measurements. Room temperature, optical absorption measurements, performed on spin-coated films of C6PbI4, revealed two absorption bands at 2.44 and 3.21 eV. Upon 325 nm (3.815 eV) laser irradiation, strong green PL emission peaks were observed at 2.41 eV (P1) and 2.24 eV (P2) and assigned to free and localized excitons, respectively. The exciton binding energy was estimated at 356 meV. At low temperature, two additional emission bands were detected at 2.366 eV (P3) and a large band (LB) at 1.97 eV. The former appeared only below 40 K and the latter emerged below 130 K. The thermal dependence of the PL spectra revealed an abnormal behavior accompanied by singularities in the peak positions and intensities at 40 and 130 K. X-ray diffraction studies performed on powder and single crystals as a function of temperature evidenced significant changes of the interlayer spacing at 50 K and ˜138 K. Around 138 K, a commensurate to incommensurate structural phase transition occurred on cooling. It involves a symmetry breaking leading to a distortion of the PbI6 octahedron. The resulting incommensurate spatial modulation of the Pb-I distances (and Pb-I-Pb angles) causes a spatial modulation of the band gap, which is at the origin of the emergence of the LB below ˜130 K and the anomalous behavior of the position of P1 below 130 K. The change of the interlayer spacing in the 40-50 K range may in turn be related to the significant decrease of the intensity of P2 and the maximum emission of the LB. These results underline the intricate character of the structural and the PL properties of the hybrid perovskites; understanding such properties should benefit to the design of optoelectronic devices with targeted properties.
Structural phase transition causing anomalous photoluminescence behavior in perovskite (C6H11NH3)2[PbI4].

PubMed

Yangui, A; Pillet, S; Mlayah, A; Lusson, A; Bouchez, G; Triki, S; Abid, Y; Boukheddaden, K

2015-12-14

Optical and structural properties of the organic-inorganic hybrid perovskite-type (C6H11NH3)2[PbI4] (abbreviated as C6PbI4) were investigated using optical absorption, photoluminescence (PL), and x-ray diffraction measurements. Room temperature, optical absorption measurements, performed on spin-coated films of C6PbI4, revealed two absorption bands at 2.44 and 3.21 eV. Upon 325 nm (3.815 eV) laser irradiation, strong green PL emission peaks were observed at 2.41 eV (P1) and 2.24 eV (P2) and assigned to free and localized excitons, respectively. The exciton binding energy was estimated at 356 meV. At low temperature, two additional emission bands were detected at 2.366 eV (P3) and a large band (LB) at 1.97 eV. The former appeared only below 40 K and the latter emerged below 130 K. The thermal dependence of the PL spectra revealed an abnormal behavior accompanied by singularities in the peak positions and intensities at 40 and 130 K. X-ray diffraction studies performed on powder and single crystals as a function of temperature evidenced significant changes of the interlayer spacing at 50 K and ∼138 K. Around 138 K, a commensurate to incommensurate structural phase transition occurred on cooling. It involves a symmetry breaking leading to a distortion of the PbI6 octahedron. The resulting incommensurate spatial modulation of the Pb-I distances (and Pb-I-Pb angles) causes a spatial modulation of the band gap, which is at the origin of the emergence of the LB below ∼130 K and the anomalous behavior of the position of P1 below 130 K. The change of the interlayer spacing in the 40-50 K range may in turn be related to the significant decrease of the intensity of P2 and the maximum emission of the LB. These results underline the intricate character of the structural and the PL properties of the hybrid perovskites; understanding such properties should benefit to the design of optoelectronic devices with targeted properties.
Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials.

PubMed

Liang, Liangbo; Zhang, Jun; Sumpter, Bobby G; Tan, Qing-Hai; Tan, Ping-Heng; Meunier, Vincent

2017-12-26

Ever since the isolation of single-layer graphene in 2004, two-dimensional layered structures have been among the most extensively studied classes of materials. To date, the pool of two-dimensional materials (2DMs) continues to grow at an accelerated pace and already covers an extensive range of fascinating and technologically relevant properties. An array of experimental techniques have been developed and used to characterize and understand these properties. In particular, Raman spectroscopy has proven to be a key experimental technique, thanks to its capability to identify minute structural and electronic effects in nondestructive measurements. While high-frequency (HF) intralayer Raman modes have been extensively employed for 2DMs, recent experimental and theoretical progress has demonstrated that low-frequency (LF) interlayer Raman modes are more effective at determining layer numbers and stacking configurations and provide a unique opportunity to study interlayer coupling. These advantages are due to 2DMs' unique interlayer vibration patterns where each layer behaves as an almost rigidly moving object with restoring forces corresponding to weak interlayer interactions. Compared to HF Raman modes, the relatively small attention originally devoted to LF Raman modes is largely due to their weaker signal and their proximity to the strong Rayleigh line background, which previously made their detection challenging. Recent progress in Raman spectroscopy with technical and hardware upgrades now makes it possible to probe LF modes with a standard single-stage Raman system and has proven crucial to characterize and understand properties of 2DMs. Here, we present a comprehensive and forward-looking review on the current status of exploiting LF Raman modes of 2DMs from both experimental and theoretical perspectives, revealing the fundamental physics and technological significance of LF Raman modes in advancing the field of 2DMs. We review a broad array of materials, with varying thickness and stacking configurations, discuss the effect of in-plane anisotropy, and present a generalized linear chain model and interlayer bond polarizability model to rationalize the experimental findings. We also discuss the instrumental improvements of Raman spectroscopy to enhance and separate LF Raman signals from the Rayleigh line. Finally, we highlight the opportunities and challenges ahead in this fast-developing field.
77 FR 21422 - Airworthiness Directives; The Boeing Company Airplanes

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-10

... the fail-safe interlayer of certain No. 2 and No. 3 glass windows, which could result in loss of the... would hinder the internal or external detailed inspections for fail-safe interlayer cracks, glass pane... this AD only if the non-clear damage hinders the inspection for fail-safe interlayer cracks, glass pane...
Measuring Interlayer Shear Stress in Bilayer Graphene

NASA Astrophysics Data System (ADS)

Wang, Guorui; Dai, Zhaohe; Wang, Yanlei; Tan, PingHeng; Liu, Luqi; Xu, Zhiping; Wei, Yueguang; Huang, Rui; Zhang, Zhong

2017-07-01

Monolayer two-dimensional (2D) crystals exhibit a host of intriguing properties, but the most exciting applications may come from stacking them into multilayer structures. Interlayer and interfacial shear interactions could play a crucial role in the performance and reliability of these applications, but little is known about the key parameters controlling shear deformation across the layers and interfaces between 2D materials. Herein, we report the first measurement of the interlayer shear stress of bilayer graphene based on pressurized microscale bubble loading devices. We demonstrate continuous growth of an interlayer shear zone outside the bubble edge and extract an interlayer shear stress of 40 kPa based on a membrane analysis for bilayer graphene bubbles. Meanwhile, a much higher interfacial shear stress of 1.64 MPa was determined for monolayer graphene on a silicon oxide substrate. Our results not only provide insights into the interfacial shear responses of the thinnest structures possible, but also establish an experimental method for characterizing the fundamental interlayer shear properties of the emerging 2D materials for potential applications in multilayer systems.
Connecting the molecular scale to the continuum scale for diffusion processes in smectite-rich porous media.

PubMed

Bourg, Ian C; Sposito, Garrison

2010-03-15

In this paper, we address the manner in which the continuum-scale diffusive properties of smectite-rich porous media arise from their molecular- and pore-scale features. Our starting point is a successful model of the continuum-scale apparent diffusion coefficient for water tracers and cations, which decomposes it as a sum of pore-scale terms describing diffusion in macropore and interlayer "compartments." We then apply molecular dynamics (MD) simulations to determine molecular-scale diffusion coefficients D(interlayer) of water tracers and representative cations (Na(+), Cs(+), Sr(2+)) in Na-smectite interlayers. We find that a remarkably simple expression relates D(interlayer) to the pore-scale parameter δ(nanopore) ≤ 1, a constrictivity factor that accounts for the lower mobility in interlayers as compared to macropores: δ(nanopore) = D(interlayer)/D(0), where D(0) is the diffusion coefficient in bulk liquid water. Using this scaling expression, we can accurately predict the apparent diffusion coefficients of tracers H(2)0, Na(+), Sr(2+), and Cs(+) in compacted Na-smectite-rich materials.
Hydration thermodynamics of the SWy-1 montmorillonite saturated with alkali and alkaline-earth cations: A predictive model

NASA Astrophysics Data System (ADS)

Vieillard, Philippe; Blanc, Philippe; Fialips, Claire I.; Gailhanou, Hélène; Gaboreau, Stéphane

2011-10-01

The aim of the present work was to study the thermodynamic equilibria between water and a homo-ionic montmorillonite SWy-1 saturated by different cations. The choice of this smectite is justified by the large set of experimental data available from the literature for eight different interlayer cations: Na +, K +, Rb +, Cs +, Mg 2+, Ca 2+, Sr 2+, and Ba 2+. In particular, studies by Cases et al. (1992, 1997) and Bérend et al. (1995) are providing heat of adsorption data, pairs of desorption-adsorption isotherms, and information about the partition of adsorption-desorption water molecules between external surfaces and internal spaces. By calculating the effective amount of hydration water as the difference between the so-called gravimetric water and the surface covering water, a thermodynamic model was then developed, based on the concept of Ransom and Helgeson (1994) considering an asymmetric subregular binary solid solution between a fully hydrated and a anhydrous smectite. A set of six thermodynamic parameters ( ΔH∘hyd,S∘hyd and four Margules parameters) was extracted by a least square method from measurements of enthalpies of adsorption and paired adsorption-desorption isotherms for each interlayer cation. These six initial parameters were then used to determine a complete set of standard thermodynamic hydration parameters ( ΔH∘hyd,ΔG∘hyd,ΔS∘hyd, heat capacity, molar volume, and number of interlayer H 2O) and quantify, for each cation, the number of moles of hydration water molecules as a function of relative humidity and temperature. The validation of the standard state thermodynamic properties of hydration for each end member was carried out using three approaches: (1) a comparison with experimental isotherms obtained on hetero-ionic and homo-ionic SWy-1 smectite at different temperatures; (2) a comparison with the experimental integral enthalpy and entropy of hydration of the SWy-1 smectite; and (3) a comparison with experimental isotherms acquired on various smectites (Upton, MX80, Arizona) with different layer charges. Eventually, the present work demonstrates that, from a limited number of measurements, it is possible to provide the hydration thermodynamic parameters for hydrated smectites with different compositions and under different conditions of temperature and relative humidity, using the newly developed predictive model.
Lightning Damage of Carbon Fiber/Epoxy Laminates with Interlayers Modified by Nickel-Coated Multi-Walled Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Dong, Qi; Wan, Guoshun; Xu, Yongzheng; Guo, Yunli; Du, Tianxiang; Yi, Xiaosu; Jia, Yuxi

2017-12-01

The numerical model of carbon fiber reinforced polymer (CFRP) laminates with electrically modified interlayers subjected to lightning strike is constructed through finite element simulation, in which both intra-laminar and inter-laminar lightning damages are considered by means of coupled electrical-thermal-pyrolytic analysis method. Then the lightning damage extents including the damage volume and maximum damage depth are investigated. The results reveal that the simulated lightning damages could be qualitatively compared to the experimental counterparts of CFRP laminates with interlayers modified by nickel-coated multi-walled carbon nanotubes (Ni-MWCNTs). With higher electrical conductivity of modified interlayer and more amount of modified interlayers, both damage volume and maximum damage depth are reduced. This work provides an effective guidance to the anti-lightning optimization of CFRP laminates.

Ion transport in complex layered graphene-based membranes with tuneable interlayer spacing.

PubMed

Cheng, Chi; Jiang, Gengping; Garvey, Christopher J; Wang, Yuanyuan; Simon, George P; Liu, Jefferson Z; Li, Dan

2016-02-01

Investigation of the transport properties of ions confined in nanoporous carbon is generally difficult because of the stochastic nature and distribution of multiscale complex and imperfect pore structures within the bulk material. We demonstrate a combined approach of experiment and simulation to describe the structure of complex layered graphene-based membranes, which allows their use as a unique porous platform to gain unprecedented insights into nanoconfined transport phenomena across the entire sub-10-nm scales. By correlation of experimental results with simulation of concentration-driven ion diffusion through the cascading layered graphene structure with sub-10-nm tuneable interlayer spacing, we are able to construct a robust, representative structural model that allows the establishment of a quantitative relationship among the nanoconfined ion transport properties in relation to the complex nanoporous structure of the layered membrane. This correlation reveals the remarkable effect of the structural imperfections of the membranes on ion transport and particularly the scaling behaviors of both diffusive and electrokinetic ion transport in graphene-based cascading nanochannels as a function of channel size from 10 nm down to subnanometer. Our analysis shows that the range of ion transport effects previously observed in simple one-dimensional nanofluidic systems will translate themselves into bulk, complex nanoslit porous systems in a very different manner, and the complex cascading porous circuities can enable new transport phenomena that are unattainable in simple fluidic systems.
High temperature in-situ synchrotron-based XRD study on the crystal structure evolution of C/C composite impregnated by FLiNaK molten salt.

PubMed

Feng, Shanglei; Yang, Yingguo; Li, Li; Zhang, Dongsheng; Yang, Xinmei; Xia, Huihao; Yan, Long; Tsang, Derek K L; Huai, Ping; Zhou, Xingtai

2017-09-06

An in-situ real-time synchrotron-based grazing incidence X-ray diffraction was systematically used to investigate the crystal structural evolution of carbon fiber reinforced carbon matrix (C/C) composite impregnated with FLiNaK molten salt during the heat-treatment process. It was found that the crystallographic thermal expansion and contraction rate of interlayer spacing d 002 in C/C composite with FLiNaK salt impregnation is smaller than that in the virgin sample, indicating the suppression on interlayer spacing from FLiNaK salt impregnated. Meanwhile the crystallite size L C002 of C/C composite with FLiNaK salt impregnation is larger than the virgin one after whole heat treatment process, indicating that FLiNaK salt impregnation could facilitate the crystallization of C/C composite after heat treatment process. This improved crystallization in C/C composite with FLiNaK salt impregnation suggests the synthetic action of the salt squeeze effect on crooked carbon layer and the release of internal residual stress after heating-cooling process. Thus, the present study not only contribute to reveal the interaction mechanism between C/C composite and FLiNaK salt in high temperature environment, but also promote the design of safer and more reliable C/C composite materials for the next generation molten salt reactor.
Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geng, Guoqing; Myers, Rupert J.; Qomi, Mohammad Javad Abdolhosseini

Calciuam-silicate-hydrate (C-S-H) is the principal binding phase in modern concrete. Molecular simulations imply that its nanoscale stiffness is 'defect-driven', i.e., dominated by crystallographic defects such as bridging site vacancies in its silicate chains. However, experimental validation of this result is difficult due to the hierarchically porous nature of C-S-H down to nanometers. Here in this paper, we integrate high pressure X-ray diffraction and atomistic simulations to correlate the anisotropic deformation of nanocrystalline C-S-H to its atomic-scale structure, which is changed by varying the Ca-To-Si molar ratio. Contrary to the 'defect-driven' hypothesis, we clearly observe stiffening of C-S-H with increasing Ca/Simore » in the range 0.8 ≤ Ca/Si ≤ 1.3, despite increasing numbers of vacancies in its silicate chains. The deformation of these chains along the b-Axis occurs mainly through tilting of the Si-O-Si dihedral angle rather than shortening of the Si-O bond, and consequently there is no correlation between the incompressibilities of the a-and b-Axes and the Ca/Si. On the contrary, the intrinsic stiffness of C-S-H solid is inversely correlated with the thickness of its interlayer space. This work provides direct experimental evidence to conduct more realistic modelling of C-S-H-based cementitious material.« less
Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate

DOE PAGES

Geng, Guoqing; Myers, Rupert J.; Qomi, Mohammad Javad Abdolhosseini; ...

2017-09-08

Calciuam-silicate-hydrate (C-S-H) is the principal binding phase in modern concrete. Molecular simulations imply that its nanoscale stiffness is 'defect-driven', i.e., dominated by crystallographic defects such as bridging site vacancies in its silicate chains. However, experimental validation of this result is difficult due to the hierarchically porous nature of C-S-H down to nanometers. Here in this paper, we integrate high pressure X-ray diffraction and atomistic simulations to correlate the anisotropic deformation of nanocrystalline C-S-H to its atomic-scale structure, which is changed by varying the Ca-To-Si molar ratio. Contrary to the 'defect-driven' hypothesis, we clearly observe stiffening of C-S-H with increasing Ca/Simore » in the range 0.8 ≤ Ca/Si ≤ 1.3, despite increasing numbers of vacancies in its silicate chains. The deformation of these chains along the b-Axis occurs mainly through tilting of the Si-O-Si dihedral angle rather than shortening of the Si-O bond, and consequently there is no correlation between the incompressibilities of the a-and b-Axes and the Ca/Si. On the contrary, the intrinsic stiffness of C-S-H solid is inversely correlated with the thickness of its interlayer space. This work provides direct experimental evidence to conduct more realistic modelling of C-S-H-based cementitious material.« less
Method of producing nano-scaled graphene and inorganic platelets and their nanocomposites

DOEpatents

Jang, Bor Z [Centerville, OH; Zhamu, Aruna [Centerville, OH

2011-02-22

Disclosed is a method of exfoliating a layered material (e.g., graphite and graphite oxide) to produce nano-scaled platelets having a thickness smaller than 100 nm, typically smaller than 10 nm, and often between 0.34 nm and 1.02 nm. The method comprises: (a) subjecting the layered material in a powder form to a halogen vapor at a first temperature above the melting point or sublimation point of the halogen at a sufficient vapor pressure and for a duration of time sufficient to cause the halogen molecules to penetrate an interlayer space of the layered material, forming a stable halogen-intercalated compound; and (b) heating the halogen-intercalated compound at a second temperature above the boiling point of the halogen, allowing halogen atoms or molecules residing in the interlayer space to exfoliate the layered material to produce the platelets. Alternatively, rather than heating, step (a) is followed by a step of dispersing the halogen-intercalated compound in a liquid medium which is subjected to ultrasonication for exfoliating the halogen-intercalated compound to produce the platelets, which are dispersed in the liquid medium. The halogen can be readily captured and re-used, thereby significantly reducing the impact of halogen to the environment. The method can further include a step of dispersing the platelets in a polymer or monomer solution or suspension as a precursor step to nanocomposite fabrication.
Method of producing nano-scaled graphene and inorganic platelets and their nanocomposites

DOEpatents

Jang, Bor Z [Centerville, OH; Zhamu, Aruna [Centerville, OH

2012-02-14

Disclosed is a method of exfoliating a layered material (e.g., graphite and graphite oxide) to produce nano-scaled platelets having a thickness smaller than 100 nm, typically smaller than 10 nm, and often between 0.34 nm and 1.02 nm. The method comprises: (a) subjecting the layered material in a powder form to a halogen vapor at a first temperature above the melting point or sublimation point of the halogen at a sufficient vapor pressure and for a duration of time sufficient to cause the halogen molecules to penetrate an interlayer space of the layered material, forming a stable halogen-intercalated compound; and (b) heating the halogen-intercalated compound at a second temperature above the boiling point of the halogen, allowing halogen atoms or molecules residing in the interlayer space to exfoliate the layered material to produce the platelets. Alternatively, rather than heating, step (a) is followed by a step of dispersing the halogen-intercalated compound in a liquid medium which is subjected to ultrasonication for exfoliating the halogen-intercalated compound to produce the platelets, which are dispersed in the liquid medium. The halogen can be readily captured and re-used, thereby significantly reducing the impact of halogen to the environment. The method can further include a step of dispersing the platelets in a polymer or monomer solution or suspension as a precursor step to nanocomposite fabrication.
Densification of the interlayer spacing governs the nanomechanical properties of calcium-silicate-hydrate.

PubMed

Geng, Guoqing; Myers, Rupert J; Qomi, Mohammad Javad Abdolhosseini; Monteiro, Paulo J M

2017-09-08

Calciuam-silicate-hydrate (C-S-H) is the principal binding phase in modern concrete. Molecular simulations imply that its nanoscale stiffness is 'defect-driven', i.e., dominated by crystallographic defects such as bridging site vacancies in its silicate chains. However, experimental validation of this result is difficult due to the hierarchically porous nature of C-S-H down to nanometers. Here, we integrate high pressure X-ray diffraction and atomistic simulations to correlate the anisotropic deformation of nanocrystalline C-S-H to its atomic-scale structure, which is changed by varying the Ca-to-Si molar ratio. Contrary to the 'defect-driven' hypothesis, we clearly observe stiffening of C-S-H with increasing Ca/Si in the range 0.8 ≤ Ca/Si ≤ 1.3, despite increasing numbers of vacancies in its silicate chains. The deformation of these chains along the b-axis occurs mainly through tilting of the Si-O-Si dihedral angle rather than shortening of the Si-O bond, and consequently there is no correlation between the incompressibilities of the a- and b-axes and the Ca/Si. On the contrary, the intrinsic stiffness of C-S-H solid is inversely correlated with the thickness of its interlayer space. This work provides direct experimental evidence to conduct more realistic modelling of C-S-H-based cementitious material.
Ion transport in complex layered graphene-based membranes with tuneable interlayer spacing

PubMed Central

Cheng, Chi; Jiang, Gengping; Garvey, Christopher J.; Wang, Yuanyuan; Simon, George P.; Liu, Jefferson Z.; Li, Dan

2016-01-01

Investigation of the transport properties of ions confined in nanoporous carbon is generally difficult because of the stochastic nature and distribution of multiscale complex and imperfect pore structures within the bulk material. We demonstrate a combined approach of experiment and simulation to describe the structure of complex layered graphene-based membranes, which allows their use as a unique porous platform to gain unprecedented insights into nanoconfined transport phenomena across the entire sub–10-nm scales. By correlation of experimental results with simulation of concentration-driven ion diffusion through the cascading layered graphene structure with sub–10-nm tuneable interlayer spacing, we are able to construct a robust, representative structural model that allows the establishment of a quantitative relationship among the nanoconfined ion transport properties in relation to the complex nanoporous structure of the layered membrane. This correlation reveals the remarkable effect of the structural imperfections of the membranes on ion transport and particularly the scaling behaviors of both diffusive and electrokinetic ion transport in graphene-based cascading nanochannels as a function of channel size from 10 nm down to subnanometer. Our analysis shows that the range of ion transport effects previously observed in simple one-dimensional nanofluidic systems will translate themselves into bulk, complex nanoslit porous systems in a very different manner, and the complex cascading porous circuities can enable new transport phenomena that are unattainable in simple fluidic systems. PMID:26933689
Synthesis and investigation of proton conductivity for intercalated kaolinite with 4-amidinopyridinium chloride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Li-Te; College of Materials Science and Engineering, Nanjing Tech University, Nanjing 210009; Li, Xiao-Pei

2015-12-15

The proton-conducting materials have potential application in devices such as fuel cells. In this study, a mineral kaolinite-based proton conducting material, kaolinite-4-amidinopyridinium hydrochloride (K-4-APy–HCl), was synthesized by the intercalated compound kaolinite-4-amidinopyridine (K-4-APy) adsorbing volatilizing HCl. The thermogravimetric analysis (TG), powder X-ray diffraction (PXRD) and IR spectrum confirmed the HCl successfully inserting into the interlayer space of kaolinite and the 4-aminopyridine being protonated. The intercalation efficiency is estimated to be ca. 85.6%. With respect to K-4-APy, the interlayer space expends by 1.53 Å. The thermal decomposition mechanism was studied by PXRD and TG techniques. The K-4-APy–HCl shows proton conductivity with σ=3.379×10{supmore » −8} S cm{sup −1} at 373 K and E{sub a}=1.159 eV in the anhydrous condition, which are comparable to MOFs-based proton conducting materials. - Graphical abstract: The intercalated hybrid of mineral kaolinite with 4-amidinopyridinium hydrochloride is prepared to use as proton conducting material. - Highlights: • A new strategy is proposed for preparation of kaolinite-based proton conductor. • Intercalatied hybrid was prepared by sequentially inserting 4-amidinopyridine and adsorbing HCl. • The proton conductivity of intercalated hybrid is comparable to MOFs-based proton-conductors.« less
Molecular induced skyhook effect for magnetic interlayer softening

NASA Astrophysics Data System (ADS)

Friedrich, Rico; Caciuc, Vasile; Atodiresei, Nicolae; Blügel, Stefan

2015-11-01

Our first-principles study demonstrates for the first time that by increasing the molecule-surface binding strength, the interlayer magnetic coupling of a ferromagnetic metal can be drastically reduced with respect to that of a clean substrate. Importantly, for a weakly chemisorbed molecule the rehybridization of metal atomic d states within the molecule-induced surface geometry (geometrical effect) plays a crucial role in obtaining interlayer magnetic softening. On the contrary, for a strongly chemisorbed molecule the interlayer magnetic coupling is further reduced due to an interplay between the geometrical effect and the hybridization of atomic d states with molecular ones.
Spinel Co3O4 nanomaterials for efficient and stable large area carbon-based printed perovskite solar cells.

PubMed

Bashir, Amna; Shukla, Sudhanshu; Lew, Jia Haur; Shukla, Shashwat; Bruno, Annalisa; Gupta, Disha; Baikie, Tom; Patidar, Rahul; Akhter, Zareen; Priyadarshi, Anish; Mathews, Nripan; Mhaisalkar, Subodh G

2018-02-01

Carbon based perovskite solar cells (PSCs) are fabricated through easily scalable screen printing techniques, using abundant and cheap carbon to replace the hole transport material (HTM) and the gold electrode further reduces costs, and carbon acts as a moisture repellent that helps in maintaining the stability of the underlying perovskite active layer. An inorganic interlayer of spinel cobaltite oxides (Co 3 O 4 ) can greatly enhance the carbon based PSC performance by suppressing charge recombination and extracting holes efficiently. The main focus of this research work is to investigate the effectiveness of Co 3 O 4 spinel oxide as the hole transporting interlayer for carbon based perovskite solar cells (PSCs). In these types of PSCs, the power conversion efficiency (PCE) is restricted by the charge carrier transport and recombination processes at the carbon-perovskite interface. The spinel Co 3 O 4 nanoparticles are synthesized using the chemical precipitation method, and characterized by X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM) and UV-Vis spectroscopy. A screen printed thin layer of p-type inorganic spinel Co 3 O 4 in carbon PSCs provides a better-energy level matching, superior efficiency, and stability. Compared to standard carbon PSCs (PCE of 11.25%) an improved PCE of 13.27% with long-term stability, up to 2500 hours under ambient conditions, is achieved. Finally, the fabrication of a monolithic perovskite module is demonstrated, having an active area of 70 cm 2 and showing a power conversion efficiency of >11% with virtually no hysteresis. This indicates that Co 3 O 4 is a promising interlayer for efficient and stable large area carbon PSCs.
Activity and Stability of (Pr 1-xNd x) 2NiO 4 as Cathodes for Solid Oxide Fuel Cells: Part V. In Situ Studies of Phase Evolution

DOE PAGES

Dogdibegovic, Emir; Alabri, Nawf S.; Wright, Christopher J.; ...

2017-08-12

This study is to complement an early report (the manuscript is attached for review purpose) on the role of interlayer on activity and performance stability in praseodymium nickelates. The aforementioned report showed a remarkable 48% increase in power density while switching from common GDC interlayer to a new interlayer chemistry (PGCO). Furthermore, a stable long-term performance was linked with suppressed reaction between the cathode and PGCO interlayer. In this article, we report in situ studies of the phase evolution. The high energy XRD studies at a synchrotron source showed fully suppressed phase transition in praseodymium nickelates with PGCO interlayer, whilemore » the electrodes on the GDC interlayer undergo substantial phase transformation. Furthermore, in operando and post-test XRD analyses shown fully suppressed structural changes in electrodes operated in full cells at 750°C and 0.80 V for 500 hours. SEM-EDS analysis showed that the formation of PrO x at the cathode-interlayer interface may play a role in a decrease of mechanical integrity of the interfaces, due to thermal expansion mismatch, leading to a local stress between the two phases. Furthermore, phase evolution at a narrow interface may propagate toward the electrode bulk, leading to structural changes Q1 and performance degradation.« less
Activity and Stability of (Pr 1-xNd x) 2NiO 4 as Cathodes for Solid Oxide Fuel Cells: Part V. In Situ Studies of Phase Evolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dogdibegovic, Emir; Alabri, Nawf S.; Wright, Christopher J.

This study is to complement an early report (the manuscript is attached for review purpose) on the role of interlayer on activity and performance stability in praseodymium nickelates. The aforementioned report showed a remarkable 48% increase in power density while switching from common GDC interlayer to a new interlayer chemistry (PGCO). Furthermore, a stable long-term performance was linked with suppressed reaction between the cathode and PGCO interlayer. In this article, we report in situ studies of the phase evolution. The high energy XRD studies at a synchrotron source showed fully suppressed phase transition in praseodymium nickelates with PGCO interlayer, whilemore » the electrodes on the GDC interlayer undergo substantial phase transformation. Furthermore, in operando and post-test XRD analyses shown fully suppressed structural changes in electrodes operated in full cells at 750°C and 0.80 V for 500 hours. SEM-EDS analysis showed that the formation of PrO x at the cathode-interlayer interface may play a role in a decrease of mechanical integrity of the interfaces, due to thermal expansion mismatch, leading to a local stress between the two phases. Furthermore, phase evolution at a narrow interface may propagate toward the electrode bulk, leading to structural changes Q1 and performance degradation.« less
Carbon felt interlayer derived from rice paper and its synergistic encapsulation of polysulfides for lithium-sulfur batteries

NASA Astrophysics Data System (ADS)

Yang, Kai; Zhong, Lei; Guan, Ruiteng; Xiao, Min; Han, Dongmei; Wang, Shuanjin; Meng, Yuezhong

2018-05-01

Lithium-sulfur (Li-S) batteries have remarkably high theoretical specific capacity as promising candidates for next-generation energy storage. However, the "polysulfides shuttle" effect hampers its commercial application. Here, we use a kind of rice paper as a raw material to get inorganic oxides doping carbon felt by the facile carbonization method, and then modified by a simple coating process using poly (fluorenyl ether ketone) and Super P slurry. The special structure of the carbon felt derived from rice paper and its modified layer endow the final electronic conductive interlayer with inherent polysulfides absorbents and ion Coulombic repulsion functions, respectively, which show synergistic effect for trapping polysulfides. As an interlayer of Li-S batteries, the obtained carbon felt/poly (fluorenyl ether ketone)& Super P (CFSS) interlayer shows excellent electrochemical performance in improving specific capacity and decreasing polarization. The batteries with CFSS interlayer exhibit a high capacity of 837 mA h g-1 at 2.0 C and a high initial capacity of 1073.4 mA h g-1 and good capacity retention of 824.5 mA h g-1 after 500 cycles at 0.5 C. CFSS interlayer also shows excellent anti-self-discharge performance. Therefore, the simple and economical CFSS interlayer can be considered as a promising component for high performance Li-S batteries.
Effect of sulphur vacancy and interlayer interaction on the electronic structure and spin splitting of bilayer MoS2.

PubMed

Dong, Yulan; Zeng, Bowen; Xiao, Jin; Zhang, Xiaojiao; Li, Dongde; Li, Mingjun; He, Jun; Long, Mengqiu

2018-02-27

Molybdenum disulfide (MoS 2 ) is one of the candidate materials for nanoelectronics and optoelectronics devices in the future. The electronic and magnetic properties of MoS 2 can be regulated by interlayer interaction and the vacancy effect. Nevertheless, the combined effect of these two factors on MoS 2 is not clearly understood. In this study, we have investigated the impact of a single S vacancy combined with interlayer interaction on the properties of bilayer MoS 2 . Our calculated results show that an S vacancy brings impurity states in the band structure of bilayer MoS 2 , and the energy level of the impurity states can be affected by the interlayer distance, which finally disappears in the bulk state when the layer distance is relatively small. Moreover, during the compression of bilayer MoS 2 , the bottom layer, where the S vacancy stays, gets an additional charge due to interlayer charge transfer, which first increases, and then decreases due to gradually forming the interlayer S-S covalent bond, as interlayer distance decreases. The change of the additional charge is consistent with the change of the total magnetic moment of the bottom layers, no magnetic moment has been found in the top layer. The distribution of magnetic moment mainly concentrates on the three Mo atoms around the S vacancy, for each of which the magnetic moment is very much related to the Mo-Mo length. Our conclusion is that the interlayer charge transfer and S vacancy co-determine the magnetic properties of this system, which may be a useful way to regulate the electronic and magnetic properties of MoS 2 for potential applications.
Effects of exchanged cation and layer charge on the sorption of water and EGME vapors on montmorillonite clays

USGS Publications Warehouse

Chiou, Cary T.; Rutherford, David W.

1997-01-01

The effects of exchanged cation and layer charge on the sorption of water and ethylene glycol monoethyl ether (EGME) vapors on montmorillonite have been studied on SAz-1 and SWy-1 source clays, each exchanged respectively with Ca, Na, K, Cs and tetramethylammonium (TMA) cations. The corresponding lattice expansions were also determined, and the corresponding N2 adsorption data were provided for comparison. For clays exchanged with cations of low hydrating powers (such as K, Cs and TMA), water shows a notably lower uptake than does N2 at low relative pressures (P/P0). By contrast, EGME shows higher uptakes than N2 on all exchanged clays at all P/P0. The anomaly for water is attributed to its relatively low attraction for siloxane surfaces of montmorillonite because of its high cohesive energy density. In addition to solvating cations and expanding interlayers, water and EGME vapors condense into small clay pores and interlayer voids created by interlayer expansion. The initial (dry) interlayer separation varies more significantly with cation type than with layer charge; the water-saturated interlayer separation varies more with cation type than the EGME-saturated interlayer separation. Because of the differences in surface adsorption and interlayer expansion for water and EGME, no general correspondence is found between the isotherms of water and EGME on exchanged clays, nor is a simple relation observed between the overall uptake of either vapor and the cation solvating power. The excess interlayer capacities of water and of EGME that result from lattice expansion of the exchanged clays are estimated by correcting for amounts of vapor adsorption on planar clay surfaces and of vapor condensation into intrinsic clay pores. The resulting data follow more closely the relative solvating powers of the exchanged cations.
Effect of sulphur vacancy and interlayer interaction on the electronic structure and spin splitting of bilayer MoS2

NASA Astrophysics Data System (ADS)

Dong, Yulan; Zeng, Bowen; Xiao, Jin; Zhang, Xiaojiao; Li, Dongde; Li, Mingjun; He, Jun; Long, Mengqiu

2018-03-01

Molybdenum disulfide (MoS2) is one of the candidate materials for nanoelectronics and optoelectronics devices in the future. The electronic and magnetic properties of MoS2 can be regulated by interlayer interaction and the vacancy effect. Nevertheless, the combined effect of these two factors on MoS2 is not clearly understood. In this study, we have investigated the impact of a single S vacancy combined with interlayer interaction on the properties of bilayer MoS2. Our calculated results show that an S vacancy brings impurity states in the band structure of bilayer MoS2, and the energy level of the impurity states can be affected by the interlayer distance, which finally disappears in the bulk state when the layer distance is relatively small. Moreover, during the compression of bilayer MoS2, the bottom layer, where the S vacancy stays, gets an additional charge due to interlayer charge transfer, which first increases, and then decreases due to gradually forming the interlayer S-S covalent bond, as interlayer distance decreases. The change of the additional charge is consistent with the change of the total magnetic moment of the bottom layers, no magnetic moment has been found in the top layer. The distribution of magnetic moment mainly concentrates on the three Mo atoms around the S vacancy, for each of which the magnetic moment is very much related to the Mo-Mo length. Our conclusion is that the interlayer charge transfer and S vacancy co-determine the magnetic properties of this system, which may be a useful way to regulate the electronic and magnetic properties of MoS2 for potential applications.
Evolution of mechanical response of sodium montmorillonite interlayer with increasing hydration by molecular dynamics.

PubMed

Schmidt, Steven R; Katti, Dinesh R; Ghosh, Pijush; Katti, Kalpana S

2005-08-16

The mechanical response of the interlayer of hydrated montmorillonite was evaluated using steered molecular dynamics. An atomic model of the sodium montmorillonite was previously constructed. In the current study, the interlayer of the model was hydrated with multiple layers of water. Using steered molecular dynamics, external forces were applied to individual atoms of the clay surface, and the response of the model was studied. The displacement versus applied stress and stress versus strain relationships of various parts of the interlayer were studied. The paper describes the construction of the model, the simulation procedure, and results of the simulations. Some results of the previous work are further interpreted in the light of the current research. The simulations provide quantitative stress deformation relationships as well as an insight into the molecular interactions taking place between the clay surface and interlayer water and cations.
Electronic cooling via interlayer Coulomb coupling in multilayer epitaxial graphene

PubMed Central

Mihnev, Momchil T.; Tolsma, John R.; Divin, Charles J.; Sun, Dong; Asgari, Reza; Polini, Marco; Berger, Claire; de Heer, Walt A.; MacDonald, Allan H.; Norris, Theodore B.

2015-01-01

In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron–phonon interactions occur primarily within layers and interlayer electrical conductivities are low. In addition, strong covalent in-plane intralayer bonding combined with weak van der Waals interlayer bonding results in weak phonon-mediated thermal coupling between the layers. We demonstrate here, however, that Coulomb interactions between electrons in different layers of multilayer epitaxial graphene provide an important mechanism for interlayer thermal transport, even though all electronic states are strongly confined within individual 2D layers. This effect is manifested in the relaxation dynamics of hot carriers in ultrafast time-resolved terahertz spectroscopy. We develop a theory of interlayer Coulomb coupling containing no free parameters that accounts for the experimentally observed trends in hot-carrier dynamics as temperature and the number of layers is varied. PMID:26399955
Sandblasting induced stress release and enhanced adhesion strength of diamond films deposited on austenite stainless steel

NASA Astrophysics Data System (ADS)

Li, Xiao; Ye, Jiansong; Zhang, Hangcheng; Feng, Tao; Chen, Jianqing; Hu, Xiaojun

2017-08-01

We firstly used sandblasting to treat austenite stainless steel and then deposited a Cr/CrN interlayer by close field unbalanced magnetron sputtering on it. After that, diamond films were prepared on the interlayer. It is found that the sandblasting process induces phase transition from austenite to martensite in the surface region of the stainless steel, which decreases thermal stress in diamond films due to lower thermal expansion coefficient of martensite phase compared with that of austenite phase. The sandblasting also makes stainless steel's surface rough and the Cr/CrN interlayer film inherits the rough surface. This decreases the carburization extent of the interlayer, increases nucleation density and modifies the stress distribution. Due to lower residual stress and small extent of the interlayer's carburization, the diamond film on sandblast treated austenite stainless steel shows enhanced adhesion strength.

Amine-pillared Nanosheet Adsorbents for CO2 Capture Applications

NASA Astrophysics Data System (ADS)

Jiang, Hui

Amine-functionalized solid adsorbents have gained attention within the last decade for their application in carbon dioxide capture, due to their many advantages such as low energy cost for regeneration, tunable structure, elimination of corrosion problems, and additional advantages. However, one of the challenges facing this technology is to accomplish both high CO 2 capture capacity along with high CO2 diffusion rates concurrently. Current amine-based solid sorbents such as porous materials similar to SBA-15 have large pores diffusion entering molecules; however, the pores become clogged upon amine inclusion. To meet this challenge, our group's solution involves the creation of a new type of material which we are calling-amino-pillared nanosheet (APN) adsorbents which are generated from layered nanosheet precursors. These materials are being proposed because of their unique lamellar structure which exhibits ability to be modified by organic or inorganic pillars through consecutive swelling and pillaring steps to form large mesoporous interlayer spaces. After the expansion of the layer space through swelling and pillaring, the large pore space can be functionalized with amine groups. This selective functionalization is possible by the choice of amine group introduced. Our choice, large amine molecules, do not access the micropore within each layer; however, either physically or chemically immobilized onto the surface of the mesoporous interlayer space between each layer. The final goal of the research is to investigate the ability to prepare APN adsorbents from a model nanoporous layered materials including nanosheets precursor material MCM-22(P) and nanoporous layered silicate material AMH-3. MCM-22(P) contains 2-dimensional porous channels, 6 membered rings (MB) openings perpendicular to the layers and 10 MB channels in the plane of the layers. However, the transport limiting openings (6 MB) to the layers is smaller than CO2 gas molecules. In contrast, AMH-3 has 3D microporous layers with 8 MB openings in the plane of the layers, as well as perpendicular to the layers, which are larger than CO2 molecules. Based on the structure differences between nanosheets precursor material MCM-22(P) and nanoporous layered silicate material AMH-3, the latter might be more suitable for CO 2 capturer application as an APN candidate material. However, none of the assumptions above have been approved experimentally. In this study, the influence of the amine loading on adsorption capacity and kinetics of adsorption for the mixed porosity material pillared MCM-22 (P) (also called MCM-36) is studied systematically, in order to determine a potential route to achieve a final material with both high amine loading and high adsorption capacity. We first synthesized MCM-22(P), followed by swelling and pillaring to create MCM-36. Polymeric amines such as polyethylenimine (PEI) are used as an organic component of the supported amine adsorbents, with varying polymer loadings within the adsorbents used. The kinetics and diffusion properties of carbon dioxide capture on a MCM-36 pillared material impregnated with amine containing Polyethylenimine polymers has been investigated. It was determined that the introduction of amine polymer cannot be used to improve the capture capacity of the support over that of the bare material, due to the fact that with the addition of a high loading of amine polymer the large pore diffusion channels become impossible for carbon dioxide molecules to diffuse through. This sets an upper limit to the capture capacity of polymer impregnated MCM-36 for carbon dioxide which does not surpass that for the initial bare material, and greatly reduces the utility of using this sort of amine-solid adsorbent for carbon capture plans in the future.
Field electron emission based on resonant tunneling in diamond/CoSi2/Si quantum well nanostructures

PubMed Central

Gu, Changzhi; Jiang, Xin; Lu, Wengang; Li, Junjie; Mantl, Siegfried

2012-01-01

Excellent field electron emission properties of a diamond/CoSi2/Si quantum well nanostructure are observed. The novel quantum well structure consists of high quality diamond emitters grown on bulk Si substrate with a nanosized epitaxial CoSi2 conducting interlayer. The results show that the main emission properties were modified by varying the CoSi2 thickness and that stable, low-field, high emission current and controlled electron emission can be obtained by using a high quality diamond film and a thicker CoSi2 interlayer. An electron resonant tunneling mechanism in this quantum well structure is suggested, and the tunneling is due to the long electron mean free path in the nanosized CoSi2 layer. This structure meets most of the requirements for development of vacuum micro/nanoelectronic devices and large-area cold cathodes for flat-panel displays. PMID:23082241
Field electron emission based on resonant tunneling in diamond/CoSi2/Si quantum well nanostructures.

PubMed

Gu, Changzhi; Jiang, Xin; Lu, Wengang; Li, Junjie; Mantl, Siegfried

2012-01-01

Excellent field electron emission properties of a diamond/CoSi(2)/Si quantum well nanostructure are observed. The novel quantum well structure consists of high quality diamond emitters grown on bulk Si substrate with a nanosized epitaxial CoSi(2) conducting interlayer. The results show that the main emission properties were modified by varying the CoSi(2) thickness and that stable, low-field, high emission current and controlled electron emission can be obtained by using a high quality diamond film and a thicker CoSi(2) interlayer. An electron resonant tunneling mechanism in this quantum well structure is suggested, and the tunneling is due to the long electron mean free path in the nanosized CoSi(2) layer. This structure meets most of the requirements for development of vacuum micro/nanoelectronic devices and large-area cold cathodes for flat-panel displays.
Metal Catalyst for Low-Temperature Growth of Controlled Zinc Oxide Nanowires on Arbitrary Substrates

PubMed Central

Kim, Baek Hyun; Kwon, Jae W.

2014-01-01

Zinc oxide nanowires generated by hydrothermal method present superior physical and chemical characteristics. Quality control of the growth has been very challenging and controlled growth is only achievable under very limited conditions using homogeneous seed layers with high temperature processes. Here we show the controlled ZnO nanowire growth on various organic and inorganic materials without the requirement of a homogeneous seed layer and a high temperature process. We also report the discovery of an important role of the electronegativity in the nanowire growth on arbitrary substrates. Using heterogeneous metal oxide interlayers with low-temperature hydrothermal methods, we demonstrate well-controlled ZnO nanowire arrays and single nanowires on flat or curved surfaces. A metal catalyst and heterogeneous metal oxide interlayers are found to determine lattice-match with ZnO and to largely influence the controlled alignment. These findings will contribute to the development of novel nanodevices using controlled nanowires. PMID:24625584
The coherent interlayer resistance of a single, rotated interface between two stacks of AB graphite

NASA Astrophysics Data System (ADS)

Habib, K. M. Masum; Sylvia, Somaia S.; Ge, Supeng; Neupane, Mahesh; Lake, Roger K.

2013-12-01

The coherent, interlayer resistance of a misoriented, rotated interface between two stacks of AB graphite is determined for a variety of misorientation angles. The quantum-resistance of the ideal AB stack is on the order of 1 to 10 mΩ μm2. For small rotation angles, the coherent interlayer resistance exponentially approaches the ideal quantum resistance at energies away from the charge neutrality point. Over a range of intermediate angles, the resistance increases exponentially with cell size for minimum size unit cells. Larger cell sizes, of similar angles, may not follow this trend. The energy dependence of the interlayer transmission is described.
Plasticized Polymer Interlayer for Low-Temperature Fabrication of a High-Quality Silver Nanowire-Based Flexible Transparent and Conductive Film

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jo, Wonhee; Kang, Hong Suk; Choi, Jaeho

Silver nanowires (AgNWs) are one of the most promising materials to replace commercially available indium tin oxide in flexible transparent conductive films (TCFs); however, there are still numerous problems originating from poor AgNW junction formation and improper AgNW embedment into transparent substrates. To mitigate these problems, high-temperature processes have been adopted; however, unwanted substrate deformation prevents the use of these processes for the formation of flexible TCFs. In this work, we present a novel poly(methyl methacrylate) interlayer plasticized by dibutyl phthalate for low-temperature fabrication of AgNW-based TCFs, which does not cause any substrate deformation. By exploiting the viscoelastic properties ofmore » the plasticized interlayer near the lowered glass-transition temperature, a monolithic junction of AgNWs on the interlayer and embedment of the interconnected AgNWs into the interlayer are achieved in a single-step pressing. The resulting AgNW-TCFs are highly transparent (~92% at a wavelength of 550 nm), highly conductive (<90 Ω/sq), and environmentally and mechanically robust. Therefore, the plasticized interlayer provides a simple and effective route to fabricate high-quality AgNW-based TCFs.« less
A visual water vapor photonic crystal sensor with PVA/SiO2 opal structure

NASA Astrophysics Data System (ADS)

Yang, Haowei; Pan, Lei; Han, Yingping; Ma, Lihua; Li, Yao; Xu, Hongbo; Zhao, Jiupeng

2017-11-01

In study, we proposed a simple yet fast optical sensing motif based on thimbleful of polyvinyl alcohol (PVA) infiltrated photonic crystal (PC), which allows for high efficiency in vapor sensing through changes in their inter-layer space. Linear response to a broad dynamic range of vapor concentration was realized. Ultrafast response time (<1 s) and excellent recyclability were also demonstrated. Selective response to a vapor was exhibited, reflecting well the characteristic sorption properties of PVA, with which colorimetric reporting was readily achieved. These substantial improvements in performance are attributed to the efficacy of signal transduction and the enhanced signal transduction because of thimbleful PVA infiltrated space between adjacent SiO2 nanospheres.
Electron spin polarization by isospin ordering in correlated two-layer quantum Hall systems.

PubMed

Tiemann, L; Wegscheider, W; Hauser, M

2015-05-01

Enhancement of the electron spin polarization in a correlated two-layer, two-dimensional electron system at a total Landau level filling factor of 1 is reported. Using resistively detected nuclear magnetic resonance, we demonstrate that the electron spin polarization of two closely spaced two-dimensional electron systems becomes maximized when interlayer Coulomb correlations establish spontaneous isospin ferromagnetic order. This correlation-driven polarization dominates over the spin polarizations of competing single-layer fractional quantum Hall states under electron density imbalances.
Transient liquid phase bonding of titanium-, iron- and nickel-based alloys

NASA Astrophysics Data System (ADS)

Rahman, A. H. M. Esfakur

The operating temperature of land-based gas turbines and jet engines are ever-increasing to increase the efficiency, decrease the emissions and minimize the cost. Within the engines, complex-shaped parts experience extreme temperature, fatigue and corrosion conditions. Ti-based, Ni-based and Fe-based alloys are commonly used in gas turbines and jet engines depending on the temperatures of different sections. Although those alloys have superior mechanical, high temperature and corrosion properties, severe operating conditions cause fast degradation and failure of the components. Repair of these components could reduce lifecycle costs. Unfortunately, conventional fusion welding is not very attractive, because Ti reacts very easily with oxygen and nitrogen at high temperatures, Ni-based superalloys show heat affected zone (HAZ) cracking, and stainless steels show intergranular corrosion and knife-line attack. On the other hand, transient liquid phase (TLP) bonding method has been considered as preferred joining method for those types of alloys. During the initial phase of the current work commercially pure Ti, Fe and Ni were diffusion bonded using commercially available interlayer materials. Commercially pure Ti (Ti-grade 2) has been diffusion bonded using silver and copper interlayers and without any interlayer. With a silver (Ag) interlayer, different intermetallics (AgTi, AgTi2) appeared in the joint centerline microstructure. While with a Cu interlayer eutectic mixtures and Ti-Cu solid solutions appeared in the joint centerline. The maximum tensile strengths achieved were 160 MPa, 502 MPa, and 382 MPa when Ag, Cu and no interlayers were used, respectively. Commercially pure Fe (cp-Fe) was diffusion bonded using Cu (25 m) and Au-12Ge eutectic interlayer (100 microm). Cu diffused predominantly along austenite grain boundaries in all bonding conditions. Residual interlayers appeared at lower bonding temperature and time, however, voids were observed in the joint centerline at higher joining temperature and time. Dispersed Au-rich particles were observed in the base metal near interface. The highest ultimate tensile strengths obtained for the bonded Fe were 291+/-2 MPa using a Cu interlayer at 1030°C for 10 h and 315+/-4 MPa using a Au-12Ge interlayer at 950°C for 15 h. Commercially pure Ni (cp-Ni) was diffusion bonded using a Al, Au-12Ge or Cu interlayer. The formation of intermetallics could not be avoided when Al interlayer was used. Even though no intermetallics were obtained with Au-12Ge or Cu interlayer, appreciable strength of the joint was not found. Next, the simple bonding systems were modeled numerically. It is hoped that the simple models can be extended for higher order alloys. The modeling of TLP joint means to come up with a mathematical model which can predict the concentration profiles of diffusing species. The concentration dependence of diffusivity in a multi-component diffusion system makes it complicated to predict the concentration profiles of diffusing species. The so-called chemical diffusivity can be expressed as a function of thermodynamic and kinetic data. DICTRA software can calculate the concentration profiles using appropriate mobility and thermodynamic data. It can also optimize the diffusivity data using experimental diffusivity data. Then the optimized diffusivity data is stored as mobility data which is a linear function of temperature. In this work, diffusion bonding of commercially pure Ni using Cu interlayers is reported. The mobility parameters of Ni-Cu alloy binary systems were optimized using DICTRA/Thermocalc software from the available self-, tracer and chemical diffusion coefficients. The optimized mobility parameters were used to simulate concentration profiles of Ni-Cu diffusion joints using DICTRA/Thermocalc software. The calculated and experimental concentration profiles agreed well at 1100 °C. This method could not be extended for higher order alloys because of the lack of appropriate thermodynamic and kinetic database. In the third phase industrially important alloys such as SS 321, Inconel 718 and Ti-6Al-4V were diffusion bonded. Diffusion bonded SS 321 with Au-12Ge interlayer provided the best microstructure when bonded in either vacuum or argon at 1050°C for 20 h and cooled in air. The maximum strength obtained of the joint was 387+/-4 MPa bonded in vacuum at 1050°C for 20 h and cooled in air. The microstructure of joint centerline of diffusion bonded Inconel 718 using Au-12Ge interlayer at 1050°C for 15 h and cooled in air consisted of residual interlayer (1.3-2.5 microm). The residual interlayer was disappeared by increasing the bonding time by 5 h, however, pores appeared in the joint centerline. As a result, the strength obtained for bonded Inconel 718 was much lower than that of the base alloy. The joint centerline microstructure of bonded Ti-6Al-4V using Cu interlayer was free of intermetallics and solid solution of Cu and base alloy. The strength of the joint is yet to be determined.
Tailoring the soft magnetic properties of sputtered multilayers by microstructure engineering for high frequency applications

NASA Astrophysics Data System (ADS)

Falub, Claudiu V.; Rohrmann, Hartmut; Bless, Martin; Meduňa, Mojmír; Marioni, Miguel; Schneider, Daniel; Richter, Jan H.; Padrun, Marco

2017-05-01

Soft magnetic Ni78.5Fe21.5, Co91.5Ta4.5Zr4 and Fe52Co28B20 thin films laminated with SiO2, Al2O3, AlN, and Ta2O5 dielectric interlayers were deposited on 8" Si wafers using DC, pulsed DC and RF cathodes in the industrial, high-throughput Evatec LLS-EVO-II magnetron sputtering system. A typical multilayer consists of a bilayer stack up to 50 periods, with alternating (50-100) nm thick magnetic layers and (2-20) nm thick dielectric interlayers. We introduced the in-plane magnetic anisotropy in these films during sputtering by a combination of a linear magnetic field, seed layer texturing by means of linear collimators, and the oblique incidence inherent to the geometry of the sputter system. Depending on the magnetic material, the anisotropy field for these films was tuned in the range of ˜(7-120) Oe by choosing the appropriate interlayer thickness, the aspect ratios of the linear collimators in front of the targets, and the sputter process parameters (e.g. pressure, power, DC pulse frequency), while the coercivity was kept low, ˜(0.05-0.9) Oe. The alignment of the easy axis (EA) on the 8" wafers was typically between ±1.5° and ±4°. We discuss the interdependence of structure and magnetic properties in these films, as revealed by atomic force microscopy (AFM), X-ray reflectivity (XRR) with reciprocal space mapping (RSM) and magneto-optical Kerr effect (MOKE) measurements.
In Situ Study of CO2 and H2O Partitioning Between Na-Montmorillonite and Variably Wet Supercritical Carbon Dioxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Loring, John S.; Ilton, Eugene S.; Chen, Jeffrey

Shale formations play fundamental roles in large-scale geologic carbon sequestration (GCS) aimed primarily to mitigate climate change, and in smaller-scale GCS targeted mainly for CO2-enhanced gas recovery operations. In both technologies, CO2 is injected underground as a supercritical fluid (scCO2), where interactions with shale minerals could influence successful GCS implementation. Reactive components of shales include expandable clays, such as montmorillonites and mixed-layer illite/smectite clays. In this work, we used in situ X-ray diffraction (XRD) and in situ infrared (IR) spectroscopy to investigate the swelling/shrinkage and water/CO2 sorption of a pure montmorillonite, Na-SWy-2, when the clay is exposed to variably hydratedmore » scCO2 at 50 °C and 90 bar. Measured interlayer spacings and sorbed water concentrations at varying levels of scCO2 hydration are similar to previously reported values measured in air at ambient pressure over a range of relative humidities. IR spectra show evidence of both water and CO2 intercalation, and variations in peak shapes and positions suggest multiple sorbed types with distinct chemical environments. Based on the intensity of the asymmetric CO stretching band of the CO2 associated with the Na-SWy-2, we observed a significant increase in sorbed CO2 as the clay expands from a 0W to a 1W state, suggesting that water props open the interlayer so that CO2 can enter. However, as the clay transitions from a 1W to a 2W state, CO2 desorbs sharply. These observations were placed in the context of two conceptual models concerning hydration mechanisms for expandable clays and were also discussed in light of recent theoretical studies on CO2-H2O-clay interactions. The swelling/shrinkage of expandable clays could affect solid volume, porosity, and permeability of shales. Consequently, the results from this work could aid predictions of shale caprock integrity in large-scale GCS, as well as methane transmissivity in enhanced gas recovery operations.« less
Asphalt-Rubber SAMI (Stress-Absorbing Membrane Interlayers) Field Evaluation.

DTIC Science & Technology

1986-04-01

revealed that there was promise in using the material as an interlayer to prevent the reflection of cracks from an old pavement to a new asphalt -concrete...reflection cracking , and (2) that asphalt - rubber interlayers should be investigated in conjunction with conventional asphalt -concrete overlays. An... Asphalt -rubber samples were taken and tested and construction activities were documented. The performance has been monitored by conducting crack
A novel material of cross-linked styrylpyridinium salt intercalated montmorillonite for drug delivery

PubMed Central

2014-01-01

A facile synthesis of a styrylpyridinium salt (SbQ)/montmorillonite (MMT) via cationic exchange interactions between styrylpyridinium species (specifically SbQ) and MMT platelets is reported in this work. The SbQ-MMT solutions were irradiated under ultraviolet (UV) light for a specific time to obtain the cross-linked SbQ-MMT materials. Scanning electron microscopy and atomic force microscopy analyses revealed the structures and morphologies of MMT and modified MMT. X-ray diffraction and transmission electron microscope analyses indicated that the basal spacing increased from 1.24 to 1.53 nm compared with the pristine MMT, which proved that SbQ had interacted with MMT. Thermal gravimetric analysis curves showed that the amount of SbQ in the MMT interlayers was 35.71 meq/100 g. Fourier transform infrared spectroscopy also confirmed the intercalation of SbQ species into MMT interlayers, and UV spectroscopy was used to follow up the cross-linking of SbQ-MMT. This novel material has potential applications in drug delivery, and it can also be used as an additive to improve the mechanical properties of polymers. PMID:25170328
Insertion of a pentacene layer into the gold/poly(methyl methacrylate)/heavily doped p-type Si/indium device leading to the modulation of resistive switching characteristics

NASA Astrophysics Data System (ADS)

Hung, Cheng-Chun; Lin, Yow-Jon

2018-01-01

In order to get a physical insight into the pentacene interlayer-modulated resistive switching (RS) characteristics, the Au/pentacene/poly(methyl methacrylate) (PMMA)/heavily doped p-type Si (p+-Si)/In and Au/PMMA/p+-Si/In devices are fabricated and the device performance is provided. The Au/pentacene/PMMA/p+-Si/In device shows RS behavior, whereas the Au/PMMA/p+-Si/In device exhibits the set/reset-free hysteresis current-voltage characteristics. The insertion of a pentacene layer is a noticeable contribution to the RS characteristic. This is because of the occurrence of carrier accumulation/depletion in the pentacene interlayer. The transition from carrier depletion to carrier accumulation (carrier accumulation to carrier depletion) in pentacene occurring under negative (positive) voltage induces the process of set (reset). The switching conduction mechanism is primarily described as space charge limited conduction according to the electrical transport properties measurement. The concept of a pentacene/PMMA heterostructure opens a promising direction for organic memory devices.
Synthesis and characterization of [4-(2,4-dichlorophenoxybutyrate)-zinc layered hydroxide] nanohybrid

NASA Astrophysics Data System (ADS)

Hussein, Mohd Zobir; Hashim, Norhayati; Yahaya, Asmah Hj.; Zainal, Zulkarnain

2010-05-01

A new layered organic-inorganic nanohybrid material in which an agrochemical, 4-(2,4-dichlorophenoxy)butyrate (DPBA) is intercalated into inorganic interlayers of zinc layered hydroxide (ZLH) was synthesized by direct reaction of aqueous DPBA solution with zinc oxide. The resulting nanohybrid is composed of the organic moieties, DPBA sandwiched between ZLH inorganic interlayers. The nanohybrid afforded well ordered crystalline layered structure, a basal spacing of 29.6 Å, 23.5% carbon (w/w) and 47.9% (w/w) loading of DPBA. FTIR study shows that the absorption bands of the resulting nanohybrid composed the FTIR characteristics of both the DPBA and ZLH which further confirmed the intercalation episode. The intercalated organic moiety in the form of nanohybrid is thermally more stable than its sodium salt. Scanning electron micrograph shows the ZnO precursor has very fine granular structure and transformed into a flake-like when the nanohybrid is formed. This work shows that the nanohybrid of DPBA-ZLH can be synthesized using simple, direct reaction of ZnO and DPBA under aqueous environment for the formation of a new generation of agrochemical.
Method for vacuum fusion bonding

DOEpatents

Ackler, Harold D.; Swierkowski, Stefan P.; Tarte, Lisa A.; Hicks, Randall K.

2001-01-01

An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.
Fusion bonding and alignment fixture

DOEpatents

Ackler, Harold D.; Swierkowski, Stefan P.; Tarte, Lisa A.; Hicks, Randall K.

2000-01-01

An improved vacuum fusion bonding structure and process for aligned bonding of large area glass plates, patterned with microchannels and access holes and slots, for elevated glass fusion temperatures. Vacuum pumpout of all the components is through the bottom platform which yields an untouched, defect free top surface which greatly improves optical access through this smooth surface. Also, a completely non-adherent interlayer, such as graphite, with alignment and location features is located between the main steel platform and the glass plate pair, which makes large improvements in quality, yield, and ease of use, and enables aligned bonding of very large glass structures.
Mineral induced formation of sugar phosphates

NASA Technical Reports Server (NTRS)

Pitsch, S.; Eschenmoser, A.; Gedulin, B.; Hui, S.; Arrhenius, G.

1995-01-01

Glycolaldehyde phosphate, sorbed from highly dilute, weakly alkaline solution into the interlayer of common expanding sheet structure metal hydroxide minerals, condenses extensively to racemic aldotetrose-2, 4-diphophates, and aldohexose-2, 4, 6-triphosphates. The reaction proceeds mainly through racemic erythrose-2, 4-phosphate, and terminates with a large fraction of racemic altrose-2, 4, 6-phosphate. In the absence of an inductive mineral phase, no detectable homogeneous reaction takes place in the concentration- and pH range used. The reactant glycolaldehyde phosphate is practically completely sorbed within an hour from solutions with concentrations as low as 50 micron; the half-time for conversion to hexose phosphates is of the order of two days at room temperature and pH 9.5. Total production of sugar phosphates in the mineral interlayer is largely independent of the glycolaldehyde phosphate concentration in the external solution, but is determined by the total amount of GAP offered for sorption up to the capacity of the mineral. In the presence of equimolar amounts of rac-glyceraldehyde-2-phosphate, but under otherwise similar conditions, aldopentose-2, 4, -diphosphates also form, but only as a small fraction of the hexose-2, 4, 6-phosphates.
Nanohybrids of magnetic iron-oxide particles in hydrophobic organoclays for oil recovery.

PubMed

Hsu, Ru-Siou; Chang, Wen-Hsin; Lin, Jiang-Jen

2010-05-01

Nanohybrids with magnetic iron-oxide nanoparticles (FeNPs) embedded in the multilayered silicate clay were synthesized by in situ Fe(2+)/Fe(3+) coprecipitation. The natural clay, sodium montmorillonite (Na(+)-MMT), was first modified with hydrophobic poly(oxypropylene)amine salts (POP at 2000 and 4000 g/mol M(w)). The two POP-intercalated organoclays, with a silicate interlayer expansion from 1.2 to 5.2 and 9.2 nm, respectively, are suitable for embedding FeNPs. The presence of POP organics in layered structure created the space for intercalating with FeNPs of 2-4 nm in diameter, observed by transmission electronic microscope. The synthesized nanohybrids of POP4000/MMT-FeNP was composed of 17% iron oxide and 51 wt % POP within the silicate basal spacing of 5.0 nm. In contrast, the lower molecular weight of POP2000 intercalated MMT failed to encapsulate FeNPs in a significant amount, but resulting a "crowding-out effect" that caused the silicate interlayer space to shrink from 5.2 to 1.8 nm because of the replacement of the POP salt by Fe(2+)/Fe(3+) ions. The synthesis required the use of high molecular weight POP4000 and low temperatures (<4 degrees C) for a better dispersion in the reaction medium. The presence of POP in the layered silicate facilitated a homogeneous POP/MMT in water, associating with Fe(2+)/Fe(3+) ions and spatially accommodating for the subsequently generated FeNPs. The synthesized nanostructure consisting of POP and FeNP could be used as a pollutant remedy because of its ability to adsorbing crude oil and it is maneuverable under an applied magnetism.
Infrared Preheating to Enhance Interlayer Strength of Components Printed on the Big Area Additive Manufacturing (BAAM) System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kishore, Vidya; Ajinjeru, Christine; Duty, Chad E

The Big Area Additive Manufacturing (BAAM) system has the capacity to print structures on the order of several meters at a rate exceeding 50 kg/h, thereby having the potential to significantly impact the production of components in automotive, aerospace and energy sectors. However, a primary issue that limits the functional use of such parts is mechanical anisotropy. The strength of printed parts across successive layers in the build direction (z-direction) is significantly lower than the corresponding in-plane strength (x-y directions). This is largely due to poor bonding between the printed layers as the lower layers cool below the glass transitionmore » temperature (Tg) before the next layer is deposited. This work explores the use of infrared heating to increase the surface temperature of the printed layer just prior to deposition of new material to improve the interlayer strength of the components. The material used in this study was acrylonitrile butadiene styrene (ABS) reinforced with 20% chopped carbon fiber by weight. Significant improvements in z-strength were observed for the parts whose surface temperature was increased from below Tg to close to or above Tg using infrared heating. Parameters such as print speed, nozzle diameter and extrusion temperature were also found to impact the heat input required to enhance interlayer adhesion without significantly degrading the polymer and compromising on surface finish.« less

Diffusion bonding between W and EUROFER97 using V interlayer

NASA Astrophysics Data System (ADS)

Basuki, Widodo Widjaja; Aktaa, Jarir

2012-10-01

Diffusion bonding is selected to join W to EUROFER97 for the manufacturing of some components in the fusion technology. A direct bonding does not seem feasible due to the high interfacial residual stress induced by the large mismatch of the coefficient of thermal expansions of both materials to be bonded. To reduce the residual stress, a V plate with a thickness of 1 mm was introduced as an interlayer. The diffusion bonding was conducted at 1050 °C for 1 h. The uniaxial applied compression stress was calculated considering the 5% allowable creep deformation on the EUROFER97's side. Investigations on bonded specimens showed defect free interfaces. Microstructure alterations were detected just at the EUROFER97/V interface. A very hard layer assumed to be a σ phase with a thickness of about 4 μm was found on the EUROFER97's side along the bond interface. A 6 μm carbide layer containing V2C with also a high hardness value was identified on the V interlayer's side. The impact toughness of the bonded specimens was low, however comparable to that of tungsten especially if the specimens were tested at RT. Tensile test at 550 °C showed a relatively high tensile strength of bonded specimens, which achieved about 50% of the tensile strength of EUROFER97.
Multilayer Disk Reduced Interlayer Crosstalk with Wide Disk-Fabrication Margin

NASA Astrophysics Data System (ADS)

Hirotsune, Akemi; Miyauchi, Yasushi; Endo, Nobumasa; Onuma, Tsuyoshi; Anzai, Yumiko; Kurokawa, Takahiro; Ushiyama, Junko; Shintani, Toshimichi; Sugiyama, Toshinori; Miyamoto, Harukazu

2008-07-01

To reduce interlayer crosstalk caused by the ghost spot which appears in a multilayer optical disk with more than three information layers, a multilayer disk structure which reduces interlayer crosstalk with a wide disk-fabrication margin was proposed in which the backward reflectivity of the information layers is sufficiently low. It was confirmed that the interlayer crosstalk caused by the ghost spot was reduced to less than the crosstalk from the adjacent layer by controlling backward reflectivity. The wide disk-fabrication margin of the proposed disk structure was indicated by experimentally confirming that the tolerance of the maximum deviation of the spacer-layer thickness is four times larger than that in the previous multilayer disk.
Influence of a MoOx interlayer on the open-circuit voltage in organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Zou, Yunlong; Holmes, Russell J.

2013-07-01

Metal-oxides have been used as interlayers at the anode-organic interface in organic photovoltaic cells (OPVs) to increase the open-circuit voltage (VOC). We examine the role of MoOx in determining the maximum VOC in a planar heterojunction OPV and find that the interlayer strongly affects the temperature dependence of VOC. Boron subphthalocyanine chloride (SubPc)-C60 OPVs that contain no interlayer show a maximum VOC of 1.2 V at low temperature, while those with MoOx show no saturation, reaching VOC > 1.4 V. We propose that the MoOx-SubPc interface forms a Schottky junction that provides an additional contribution to VOC at low temperature.
Antiferromagnetic Interlayer Exchange Coupling in All-Semiconducting EuS/PbS/EuS Trilayers

NASA Technical Reports Server (NTRS)

Smits, C. J. P.; Filip, A. T.; Swagten, H. J. M.; Koopmans, B.; deJonge, W. J. M.; Chernyshova, M.; Kowalczyk, L.; Grasza, K.; Szczerbakow, A.; Story, T.

2003-01-01

A comprehensive experimental study on the antiferromagnetic interlayer exchange coupling in high quality epitaxial all-semiconducting EuSPbSEuS trilayers is reported. The influence of substrates, the thickness of the non-magnetic PbS spacer layer, and of temperature, was investigated by means of SQUID magnetometry. In trilayers with a PbS thickness between 4 and 12 deg A the low temperature hysteresis loops showed the signature of antiferromagnetic coupling. The value of the interlayer exchange coupling energy was determined by simulating the data with a modified Stoner model, including Zeeman, anisotropy, and exchange coupling energies. An important observation was of a strong dependence of the interlayer exchange coupling energy on temperature, consistent with a power law dependence of the exchange coupling constant on the saturation magnetization of the EuS layers. While no theoretical description is readily available, we conjecture that the observed behavior is due to a dependence of the interlayer exchange coupling energy on the exchange splitting of the EuS conduction band.
Electrochemical preparation of carbon films with a Mo2C interlayer in LiCl-NaCl-Na2CO3 melts

NASA Astrophysics Data System (ADS)

Ge, Jianbang; Wang, Shuai; Zhang, Feng; Zhang, Long; Jiao, Handong; Zhu, Hongmin; Jiao, Shuqiang

2015-08-01

The electrodeposition of carbon films with a Mo2C interlayer was investigated in LiCl-NaCl-Na2CO3 melts at 900 °C. Cyclic voltammetry was applied to study the electrochemical reaction mechanism on Mo and Pt electrodes, indicating that, two reduction reactions including carbon deposition and carbon monoxide evolution, may take place on the two electrodes simultaneously during the cathodic sweep. Carbon films with a continuous Mo2C interlayer were prepared by constant voltage electrolysis, showing a good adhesion between Mo substrate and carbon films. The carbon films with a Mo2C interlayer were characterized using X-ray diffraction measurement, Raman spectroscopy, scanning electron microscopy and transmission electron microscopy. The results reveal that carbon materials deposited on the electrodes are mainly composed of graphite and carbon diffusion in Mo (or Mo2C) leads to the formation and growth of Mo2C interlayer.
Effects of GaN interlayer on the transport properties of lattice-matched AlInN/AlN/GaN heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, F.; Gao, K. H., E-mail: khgao@tju.edu.cn; Li, Z. Q.

2015-04-21

We study the effects of GaN interlayer on the transport properties of two-dimensional electron gases confined in lattice-matched AlInN/AlN/GaN heterostructures. It is found that the Hall mobility is evidently enhanced when an additional ultrathin GaN interlayer is introduced between AlInN and AlN layers. The enhancement of the Hall mobility is especially remarkable at low temperature. The high Hall mobility results in a low sheet resistance of 23 Ω/◻ at 2 K. Meanwhile, Shubnikov-de Haas oscillations (SdH) are also remarkably enhanced due to the existence of GaN interlayer. The enhancement of the SdH oscillations is related to the larger quantum mobility μ{sub q}more » owing to the suppression of the interface roughness, alloy disorder, and ionized impurity scatterings by the GaN interlayer.« less
Observation of long-lived interlayer excitons in monolayer MoSe 2–WSe 2 heterostructures

DOE PAGES

Rivera, Pasqual; Schaibley, John R.; Jones, Aaron M.; ...

2015-02-24

Van der Waals bound heterostructures constructed with two-dimensional materials, such as graphene, boron nitride and transition metal dichalcogenides, have sparked wide interest in both device physics and technologies at the two-dimensional limit. One highly coveted heterostructure is that of differing monolayer transition metal dichalcogenides with type-II band alignment, with bound electrons and holes localized in individual monolayers, that is, interlayer excitons. Here, we report the observation of interlayer excitons in monolayer MoSe 2–WSe 2 heterostructures by photoluminescence and photoluminescence excitation spectroscopy. The energy and luminescence intensity are highly tunable by an applied vertical gate voltage. Moreover, we measure an interlayermore » exciton lifetime of ~1.8 ns, an order of magnitude longer than intralayer excitons in monolayers. Ultimately, our work demonstrates optical pumping of interlayer electric polarization, which may provoke further exploration of interlayer exciton condensation, as well as new applications in two-dimensional lasers, light-emitting diodes and photovoltaic devices.« less
Interlayer electron-phonon coupling in WSe2/hBN heterostructures

NASA Astrophysics Data System (ADS)

Jin, Chenhao; Kim, Jonghwan; Suh, Joonki; Shi, Zhiwen; Chen, Bin; Fan, Xi; Kam, Matthew; Watanabe, Kenji; Taniguchi, Takashi; Tongay, Sefaattin; Zettl, Alex; Wu, Junqiao; Wang, Feng

2017-02-01

Engineering layer-layer interactions provides a powerful way to realize novel and designable quantum phenomena in van der Waals heterostructures. Interlayer electron-electron interactions, for example, have enabled fascinating physics that is difficult to achieve in a single material, such as the Hofstadter's butterfly in graphene/boron nitride (hBN) heterostructures. In addition to electron-electron interactions, interlayer electron-phonon interactions allow for further control of the physical properties of van der Waals heterostructures. Here we report an interlayer electron-phonon interaction in WSe2/hBN heterostructures, where optically silent hBN phonons emerge in Raman spectra with strong intensities through resonant coupling to WSe2 electronic transitions. Excitation spectroscopy reveals the double-resonance nature of such enhancement, and identifies the two resonant states to be the A exciton transition of monolayer WSe2 and a new hybrid state present only in WSe2/hBN heterostructures. The observation of an interlayer electron-phonon interaction could open up new ways to engineer electrons and phonons for device applications.
Photocarrier generation from interlayer charge-transfer transitions in WS2-graphene heterostructures

PubMed Central

Yuan, Long; Chung, Ting-Fung; Kuc, Agnieszka; Wan, Yan; Xu, Yang; Chen, Yong P.; Heine, Thomas; Huang, Libai

2018-01-01

Efficient interfacial carrier generation in van der Waals heterostructures is critical for their electronic and optoelectronic applications. We demonstrate broadband photocarrier generation in WS2-graphene heterostructures by imaging interlayer coupling–dependent charge generation using ultrafast transient absorption microscopy. Interlayer charge-transfer (CT) transitions and hot carrier injection from graphene allow carrier generation by excitation as low as 0.8 eV below the WS2 bandgap. The experimentally determined interlayer CT transition energies are consistent with those predicted from the first-principles band structure calculation. CT interactions also lead to additional carrier generation in the visible spectral range in the heterostructures compared to that in the single-layer WS2 alone. The lifetime of the charge-separated states is measured to be ~1 ps. These results suggest that interlayer interactions make graphene–two-dimensional semiconductor heterostructures very attractive for photovoltaic and photodetector applications because of the combined benefits of high carrier mobility and enhanced broadband photocarrier generation. PMID:29423439
Enhancement of the coercivity in Co-Ni layered double hydroxides by increasing basal spacing.

PubMed

Zhang, Cuijuan; Tsuboi, Tomoya; Namba, Hiroaki; Einaga, Yasuaki; Yamamoto, Takashi

2016-09-14

The magnetic properties of layered double hydroxides (LDH) containing transition metal ions can still develop, compared with layered metal hydroxide salts which exhibit structure-dependent magnetism. In this article, we report the preparation of a hybrid magnet composed of Co-Ni LDH and n-alkylsulfonate anions (Co-Ni-CnSO3 LDH). As Co-Ni LDH is anion-exchangeable, we can systematically control the interlayer spacing by intercalating n-alkylsulfonates with different carbon numbers. The magnetic properties were examined with temperature- and field-dependent magnetization measurements. As a result, we have revealed that the coercive field depends on the basal spacing. It is suggested that increasing the basal spacing varies the competition between the in-plane superexchange interactions and long-range out-of-plane dipolar interactions. Moreover, a jump in the coercive field at around 20 Å of the basal spacing is assumed to be the modification of the magnetic ordering in Co-Ni-CnSO3 LDH.
Inter-layer synchronization in non-identical multi-layer networks

NASA Astrophysics Data System (ADS)

Leyva, I.; Sevilla-Escoboza, R.; Sendiña-Nadal, I.; Gutiérrez, R.; Buldú, J. M.; Boccaletti, S.

2017-04-01

Inter-layer synchronization is a dynamical process occurring in multi-layer networks composed of identical nodes. This process emerges when all layers are synchronized, while nodes in each layer do not necessarily evolve in unison. So far, the study of such inter-layer synchronization has been restricted to the case in which all layers have an identical connectivity structure. When layers are not identical, the inter-layer synchronous state is no longer a stable solution of the system. Nevertheless, when layers differ in just a few links, an approximate treatment is still feasible, and allows one to gather information on whether and how the system may wander around an inter-layer synchronous configuration. We report the details of an approximate analytical treatment for a two-layer multiplex, which results in the introduction of an extra inertial term accounting for structural differences. Numerical validation of the predictions highlights the usefulness of our approach, especially for small or moderate topological differences in the intra-layer coupling. Moreover, we identify a non-trivial relationship connecting the betweenness centrality of the missing links and the intra-layer coupling strength. Finally, by the use of multiplexed layers of electronic circuits, we study the inter-layer synchronization as a function of the removed links.
Mechanism of mechanically induced optoelectronic and spintronic phase transitions in 1D graphene spirals: insight into the role of interlayer coupling.

PubMed

Xu, Xiaodong; Liu, Bingyi; Zhao, Wenyu; Jiang, Yongyuan; Liu, Linhua; Li, Weiqi; Zhang, Guiling; Tian, Wei Quan

2017-07-13

Graphene spirals (GSs), an emerging carbonic nano-material with a Riemann surface, demonstrate extraordinary topological electronic signatures: interlayer coupling similar to van der Waals (vdW) heterojunctions and intralayer coupling within the spiral conformation. Based on the state-of-the-art first-principles technique, the electronic properties of the periphery-modified GSs with geometry deformation are explored under axial strain. For all GSs, there emerges a remarkable phase transition from metal to semiconductor, due to the attenuation of interlayer "σ-bonds" reducing the interlayer tunneling probability for carriers. Analogous to graphene, GSs consist of bipartite sublattices with carbonic sp 2 hybridization as well. Once the balance of the bipartite sublattices is lost, there will emerge intense edge (corner) states, contributed by the p z orbitals. In contrast to isolated graphene nanoflakes, GSs realize the continuous spin-polarized edge (corner) state coupling with 1D morphology. However, the spin-polarization is blocked by the robust interlayer "σ-bonds" so that the spintronic transition takes place until this interlayer coupling is broken. More intriguingly, an indirect-direct bandgap transition is observed, revealing excellent optical on-off features. Their tunable properties provide great potential for their application in optoelectronics, spintronics and chemical or biological sensors.
Development of a Novel Ni-Fe-Cr-B-Si Interlayer Material for Transient Liquid Phase Bonding of Inconel 718

NASA Astrophysics Data System (ADS)

Tarai, U. K.; Robi, P. S.; Pal, Sukhomay

2018-04-01

A Ni-Cr-Fe-Si-B based interlayer material was developed by mechanical alloying (MA) process in a high-energy planetary ball mill. Equiaxed alloy powders of size 12 µm was obtained after milling for 50 hours. X-ray diffraction analysis of the milled powder revealed that milling of elemental powders initially resulted in microcrystalline alloy powder having face centered cubic structure, which on subsequent milling resulted in nano-crystallice alloy powder with a crystallite size of 3.2 nm. XRD analysis also reveals formation of metastable eutectic alloys resulting in lowering of the melting point of the interlayer material to 1025 °C. IN 718 superalloy samples were joined at 1050°C using the developed interlayer. A homogeneous joint was formed by the newly developed interlayer material. Three different zones were observed at the bond (i) isothermally solidified zone, (ii) diffusion affected zone and (iii) unaffected base metal. In the diffusion-affected zone, boron was present at the grain boundaries of Ni γ matrix in bulky metal borides form. The diffusion of boron from interlayer material into the base material was mechanism of isothermal solidification and bond formation in transient liquid phase bonding of IN 718.
Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals

DOE PAGES

Li, Xufan; Basile Carrasco, Leonardo A.; Yoon, Mina; ...

2015-01-21

Characterizing and controlling the interlayer orientations and stacking order of bilayer two-dimensional (2D) crystals and van der Waals (vdW) heterostructure is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) that result from different layer stacking provide an ideal platform to study the stacking configurations in bilayer 2D crystals. Here, through a controllable vapor-phase deposition method we selectively grow bilayer GaSe crystals and investigate their two preferred 0° or 60° interlayer rotations. The commensurate stacking configurations (AA' and AB-stacking) in as-grown 2D bilayer GaSe crystals are clearly observed at the atomic scale andmore » the Ga-terminated edge structure are identified for the first time by using atomic-resolution scanning transmission electron microscopy (STEM). Theoretical analysis of the interlayer coupling energetics vs. interlayer rotation angle reveals that the experimentally-observed orientations are energetically preferred among the bilayer GaSe crystal polytypes. Here, the combined experimental and theoretical characterization of the GaSe bilayers afforded by these growth studies provide a pathway to reveal the atomistic relationships in interlayer orientations responsible for the electronic and optical properties of bilayer 2D crystals and vdW heterostructures.« less
Layer and doping tunable ferromagnetic order in two-dimensional Cr S2 layers

NASA Astrophysics Data System (ADS)

Wang, Cong; Zhou, Xieyu; Pan, Yuhao; Qiao, Jingsi; Kong, Xianghua; Kaun, Chao-Cheng; Ji, Wei

2018-06-01

Interlayer coupling is of vital importance for manipulating physical properties, e.g., electronic band gap, in two-dimensional materials. However, tuning magnetic properties in these materials is yet to be addressed. Here, we found the in-plane magnetic orders of Cr S2 mono and few layers are tunable between striped antiferromagnetic (sAFM) and ferromagnetic (FM) orders by manipulating charge transfer between Cr t2 g and eg orbitals. Such charge transfer is realizable through interlayer coupling, direct charge doping, or substituting S with Cl atoms. In particular, the transferred charge effectively reduces a portion of Cr4 + to Cr3 +, which, together with delocalized S p orbitals and their resulting direct S-S interlayer hopping, enhances the double-exchange mechanism favoring the FM rather than sAFM order. An exceptional interlayer spin-exchange parameter was revealed over -10 meV , an order of magnitude stronger than available results of interlayer magnetic coupling. It addition, the charge doping could tune Cr S2 between p - and n -doped magnetic semiconductors. Given these results, several prototype devices were proposed for manipulating magnetic orders using external electric fields or mechanical motion. These results manifest the role of interlayer coupling in modifying magnetic properties of layered materials and shed considerable light on manipulating magnetism in these materials.
Influence of Ni Interlayer on Microstructure and Mechanical Properties of Mg/Al Bimetallic Castings

NASA Astrophysics Data System (ADS)

Liu, Ning; Liu, Canchun; Liang, Chunyong; Zhang, Yongguang

2018-05-01

Dissimilar joining of magnesium and aluminum using a compound casting process was investigated in the present work. For the first time, a Ni interlayer prepared by plasma spraying was inserted between the two base metals to improve the interfacial characteristics. Examination of the interfacial regions using scanning electron microscopy, energy-dispersive X-ray spectroscopy, electron probe microanalysis, and X-ray diffraction revealed the formation of a three-layered interface between Mg and Al without the interlayer. The thickness of the interface was approximately 600 μm when the casting was performed at 700 °C and increased with increasing casting temperature. However, with the addition of the Ni interlayer, the Al-Mg reaction was successfully prevented, and metallurgical bonding between the Ni interlayer and two base metals was achieved at a casting temperature of 700 °C. Upon increasing this temperature, Mg-Ni and Al-Ni intermetallics were generated at the separate interfaces. The shear strength of the Mg/Al bimetallic castings with the Ni interlayer was substantially improved compared with that of the direct Mg/Al joint, with a maximum value of 25.4 MPa achieved at 700 °C. Fracture occurred mainly along the Mg/Ni interface for the Mg/Ni/Al multilayer structure castings.
Role of interlayer hydration in lincomycin sorption by smectite clays.

PubMed

Wang, Cuiping; Ding, Yunjie; Teppen, Brian J; Boyd, Stephen A; Song, Cunyi; Li, Hui

2009-08-15

Lincomycin, an antibiotic widely administered as a veterinary medicine, is frequently detected in water. Little is known about the soil-water distribution of lincomycin despite the fact that this is a major determinant of its environmental fate and potential for exposure. Cation exchange was found to be the primary mechanism responsible for lincomycin sorption by soil clay minerals. This was evidenced by pH-dependent sorption, and competition with inorganic cations for sorptive sites. As solution pH increased, lincomycin sorption decreased. The extent of reduction was consistent with the decrease in cationic lincomycin species in solution. The presence of Ca2+ in solution diminished lincomycin sorption. Clay interlayer hydration status strongly influenced lincomycin adsorption. Smectites with the charge deficit from isomorphic substitution in tetrahedral layers (i.e., saponite) manifest a less hydrated interlayer environment resulting in greater sorption than that by octahedrally substituted clays (i.e., montmorillonite). Strongly hydrated exchangeable cations resulted in a more hydrated clay interlayer environment reducing sorption in the order of Ca- < K- < Cs-smectite. X-ray diffraction revealed that lincomycin was intercalated in smectite clay interlayers. Sorption capacity was limited by clay surface area rather than by cation exchange capacity. Smectite interlayer hydration was shown to be a major, yet previously unrecognized, factor influencing the cation exchange process of lincomycin on aluminosilicate mineral surfaces.
Ag-Pd-Cu alloy inserted transparent indium tin oxide electrodes for organic solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Hyo-Joong; Seo, Ki-Won; Kim, Han-Ki, E-mail: imdlhkkim@khu.ac.kr

2014-09-01

The authors report on the characteristics of Ag-Pd-Cu (APC) alloy-inserted indium tin oxide (ITO) films sputtered on a glass substrate at room temperature for application as transparent anodes in organic solar cells (OSCs). The effect of the APC interlayer thickness on the electrical, optical, structural, and morphological properties of the ITO/APC/ITO multilayer were investigated and compared to those of ITO/Ag/ITO multilayer electrodes. At the optimized APC thickness of 8 nm, the ITO/APC/ITO multilayer exhibited a resistivity of 8.55 × 10{sup −5} Ω cm, an optical transmittance of 82.63%, and a figure-of-merit value of 13.54 × 10{sup −3} Ω{sup −1}, comparable to those of the ITO/Ag/ITOmore » multilayer. Unlike the ITO/Ag/ITO multilayer, agglomeration of the metal interlayer was effectively relieved with APC interlayer due to existence of Pd and Cu elements in the thin region of the APC interlayer. The OSCs fabricated on the ITO/APC/ITO multilayer showed higher power conversion efficiency than that of OSCs prepared on the ITO/Ag/ITO multilayer below 10 nm due to the flatness of the APC layer. The improved performance of the OSCs with ITO/APC/ITO multilayer electrodes indicates that the APC alloy interlayer prevents the agglomeration of the Ag-based metal interlayer and can decrease the thickness of the metal interlayer in the oxide-metal-oxide multilayer of high-performance OSCs.« less
Scale effect and value criterion of the permeability of the interlayer staggered zones in the basalt of Jinsha River basin, China

NASA Astrophysics Data System (ADS)

Zhou, Zhifang; Lin, Mu; Guo, Qiaona; Chen, Meng

2018-05-01

The hydrogeological characteristics of structural planes are different to those of the associated bedrock. The permeability, and therefore hydraulic conductivity (K), of a structural plane can be significantly different at different scales. The interlayer staggered zones in the Emeishan Basalt of early Late Permian were studied; this formation is located in the Baihetan hydropower project area in Jinsha River Basin, China. The seepage flow distribution of a solid model and two generalized models (A and B) were computed using COMSOL. The K values of the interlayer staggered zones for all three models were calculated by both simulation and analytical methods. The results show that the calculated K results of the generalized models can reflect the variation trend of permeability in each section of the solid model, and the approximate analytical calculation of K can be taken into account in the calculation of K in the generalized models instead of that found by simulation. Further studies are needed to investigate permeability variation in the interlayer staggered zones under the condition of different scales, considering the scaling variation in each section of an interlayer staggered zone. The permeability of each section of an interlayer staggered zone presents a certain degree of dispersivity at small scales; however, the permeability values tends to converge to a similar value as the scale of each section increases. The regularity of each section of the interlayer staggered zones under the condition of different scales can provide a scientific basis for reasonable selection of different engineering options.
Sugar-influenced water diffusion, interaction, and retention in clay interlayer nanopores probed by theoretical simulations and experimental spectroscopies

NASA Astrophysics Data System (ADS)

Aristilde, Ludmilla; Galdi, Stephen M.; Kelch, Sabrina E.; Aoki, Thalia G.

2017-08-01

Understanding the hydrodynamics in clay nanopores is important for gaining insights into the trapping of water, nutrients, and contaminants in natural and engineered soils. Previous investigations have focused on the interlayer organization and molecular diffusion coefficients (D) of cations and water molecules in cation-saturated interlayer nanopores of smectite clays. Little is known, however, about how these interlayer dynamic properties are influenced by the ubiquitous presence of small organic compounds such as sugars in the soil environment. Here we probed the effects of glucose molecules on montmorillonite interlayer properties. Molecular dynamics simulations revealed re-structuring of the interlayer organization of the adsorptive species. Water-water interactions were disrupted by glucose-water H-bonding interactions. ;Dehydration; of the glucose-populated nanopore led to depletion in the Na solvation shell, which resulted in the accumulation of both Na ions (as inner-sphere complexes) and remaining hydrated water molecules at the mineral surface. This accumulation led to a decrease in both DNa and Dwater. In addition, the reduction in Dglucose as a function of increasing glucose content can be explained by the aggregation of glucose molecules into organic clusters H-bonded to the mineral surface on both walls of the nanopore. Experimental nuclear magnetic resonance and X-ray diffraction data were consistent with the theoretical predictions. Compared to clay interlayers devoid of glucose, increased intensities and new peaks in the 23Na nuclear magnetic resonance spectra confirmed increasing immobilization of Na as a function of increasing glucose content. And, the X-ray diffraction data indicated a reduced collapse of glucose-populated interlayers exposed to decreasing moisture conditions, which led to the maintenance of hydrated clay nanopores. The coupling of theoretical and experimental findings sheds light on the molecular to nanoscale mechanisms that control the enhanced trapping of water molecules and solutes within sugar-enriched clay nanopores.

Alteration of bentonite when contacted with supercritical CO2

NASA Astrophysics Data System (ADS)

Jinseok, K.; Jo, H. Y.; Yun, S. T.

2014-12-01

Deep saline formations overlaid by impermeable caprocks with a high sealing capacity are attractive CO2 storage reservoirs. Shales, which consist of mainly clay minerals, are potential caprocks for the CO2 storage reservoirs. The properties of clay minerals in shales may affect the sealing capacity of shales. In this study, changes in clay minerals' properties when contacted with supercritical (SC) CO2 at various conditions were investigated. Bentonite, whichis composed of primarily montmorillonite, was used as the clay material in this study. Batch reactor tests on wet bentonite samples in the presence of SC CO2 with or without aqueous phases were conducted at high pressure (12 MPa) and moderate temperature (50 oC) conditions for a week. Results show that the bentonite samples obtained from the tests with SC CO2 had less change in porosity than those obtained from the tests without SC CO2 (vacuum-drying) at a given reaction time, indicating that the bentonite samples dried in the presence of SC CO2 maintained their structure. These results suggest that CO2 molecules can diffuse into interlayer of montmorillonite, which is a primary mineral of bentonite, and form a single CO2 molecule layer or double CO2 molecule layers. The CO2 molecules can displace water molecules in the interlayer, resulting in maintaining the interlayer spacing when dehydration occurs. Noticeable changes in reacted bentonite samples obtained from the tests with an aqueous phase (NaCl, CaCl2, or sea water) are decreases in the fraction of plagioclase and pyrite and formation of carbonate minerals (i.e., calcite and dolomite) and halite. In addition, no significant exchanges of Na or Ca on the exchangeable complex of the montmorillonite in the presence of SC CO2 occurred, resulting in no significant changes in the swelling capacity of bentonite samples after reacting with SC CO2 in the presence of aqueous phases. These results might be attributed by the CO2 molecule layer, which prevents diffusion of ions into the interlayer.
Pore Distribution Characteristics of the Igneous Reservoirs in the Eastern Sag of the Liaohe Depression

NASA Astrophysics Data System (ADS)

Zongli, Liu; Zhuwen, Wang; Dapeng, Zhou; Shuqin, Zhao; Min, Xiang

2017-05-01

In the Es3 formation (third section of the Shahejie) of the Eastern sag section of the Liaohe Depression, basalt and trachyte are predominant in the igneous rock. The reservoir consists of complex reservoir space types. Based on the porosity bins of nuclear magnetic logging and the porosity distribution of electric imaging logging, the pores' sizes and distribution, as well as the mutual connectivity of the reservoir, were analyzed. Also, the characteristics of the different reservoirs were summarized. In regards to the oil reservoirs, large pores (PS>10) were found to account for the majority of the reservoir spaces, and the pore distribution was concentrated and well connected. However, for the poor oil reservoirs, the large and small pores were found to alternate, and the pore distribution was scattered and poorly connected. Within the dry layers, the smaller pores (PS<10) were predominant. The pore distributions were found to be influenced by lithology, facies, and tectonism. The reservoirs of the pyroclastic flow of the explosive facies had good connectivity, and the interlayer heterogeneity was relatively weak. This reservoir's pore distributions were found to be mainly dominated by the larger pores (PS10-PS13), which displayed a concentrated distribution mainly in one porosity bin. Therefore, it was taken as a favorable facie belt in the eastern sag of the Liaohe Depression. The examination of the pore distribution characteristics of the igneous rock was the key to the evaluation of the properties and effectiveness of the igneous reservoirs in this study, which potentially has great significance to the future exploration and development of igneous rock.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Devanathan, Ram

Here, more than a billion people do not have access to clean water globally and millions of people die every year from water borne diseases. Human activity has resulted in depletion of groundwater, seawater intrusion in coastal aquifers, pollution of water resources, ecological damage, and resultant threats to the world’s freshwater, food supply, security, and prosperity. To address this challenge, there is a pressing need to produce clean water from seawater, brackish groundwater, and waste water. Current desalination methods are energy intensive and produce adverse environmental impact. At the same time, energy production consumes large quantities of water and createsmore » waste water that needs to be treated with further energy input. Water treatment with membranes that separate water molecules from ions, pathogens and pollutants has been proposed as an energy-efficient solution to the fresh water crisis. Recently, membranes based on carbon nanotubes, graphene and graphene oxide (GO) have garnered considerable interest for their potential in desalination. Of these, GO membranes hold the promise of inexpensive production on a large scale but swell when immersed in water. The swollen membrane allows not only water molecules but also ions, such as Na + and Mg 2+, to pass through. Abraham and coworkers show that the interlayer spacing in a GO laminar membrane can be tuned to a certain value and then fixed by physically restraining the membrane from swelling. When the authors reduced the spacing systematically in steps from 9.8 Å to 7.4 Å, the ion permeation rate was reduced by two orders of magnitude while the water permeation rate was only halved.« less
Ion sieving and desalination: Energy penalty for excess baggage

DOE PAGES

Devanathan, Ram

2017-04-03

Here, more than a billion people do not have access to clean water globally and millions of people die every year from water borne diseases. Human activity has resulted in depletion of groundwater, seawater intrusion in coastal aquifers, pollution of water resources, ecological damage, and resultant threats to the world’s freshwater, food supply, security, and prosperity. To address this challenge, there is a pressing need to produce clean water from seawater, brackish groundwater, and waste water. Current desalination methods are energy intensive and produce adverse environmental impact. At the same time, energy production consumes large quantities of water and createsmore » waste water that needs to be treated with further energy input. Water treatment with membranes that separate water molecules from ions, pathogens and pollutants has been proposed as an energy-efficient solution to the fresh water crisis. Recently, membranes based on carbon nanotubes, graphene and graphene oxide (GO) have garnered considerable interest for their potential in desalination. Of these, GO membranes hold the promise of inexpensive production on a large scale but swell when immersed in water. The swollen membrane allows not only water molecules but also ions, such as Na + and Mg 2+, to pass through. Abraham and coworkers show that the interlayer spacing in a GO laminar membrane can be tuned to a certain value and then fixed by physically restraining the membrane from swelling. When the authors reduced the spacing systematically in steps from 9.8 Å to 7.4 Å, the ion permeation rate was reduced by two orders of magnitude while the water permeation rate was only halved.« less
Hierarchical MoS2-coated three-dimensional graphene network for enhanced supercapacitor performances

NASA Astrophysics Data System (ADS)

Zhou, Rui; Han, Cheng-jie; Wang, Xiao-min

2017-06-01

Layered molybdenum disulfide (MoS2) owns graphene-like two-dimensional structure, and when used as the electrode material for energy storage devices, the intercalation of electrolyte ions is permitted. Herein, a simple dipping and drying method is employed to stack few-layered MoS2 nanosheets on a three-dimensional graphene network (3DGN). The structure measurement results indicate that the assembled hierarchical MoS2 nanosheets own expanded interlayer spacing (∼0.75 nm) and are stacked on the surface of 3DGN uncontinuously. The composite can achieve 110.57% capacitance retention after 4000 cycles of galvanostatic charge/discharge tests and 76.73% capacitance retention with increasing the current density from 1 A g-1 to 100 A g-1. Moreover, the asymmetric coin cell supercapacitor using MoS2@3DGN and active carbon as electrode materials is assembled. This device could achieve a working voltage window of 1.6 V along with the power and energy densities of 400.0-8001.6 W kg-1 and 36.43-1.12 Wh kg-1 respectively. The enhanced electrochemical performance can be attributed to: (1) the expanded interlayer spacing of hierarchical MoS2 nanosheets which can facilitate the fast intercalation/deintercalation of electrolyte cations, (2) the uncontinuous deposition of hierarchical MoS2 nanosheets which facilitates more contact between electrolyte and the section of MoS2 nanosheets to provide more gates for the intercalation/deintercalation.
Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, Liangbo; Zhang, Jun; Sumpter, Bobby G.

Ever since the isolation of single-layer graphene in 2004, two-dimensional layered structures have been among the most extensively studied classes of materials. To date, the pool of two-dimensional materials (2DMs) continues to grow at an accelerated pace and already covers an extensive range of fascinating and technologically relevant properties. An array of experimental techniques have been developed and used to fully characterize and understand these properties. In particular, Raman spectroscopy has proven to be a key experimental technique, thanks to its capability to identify minute structural and electronic effects in nondestructive measurements. While high-frequency (HF) intralayer Raman modes have beenmore » extensively employed for 2DMs, recent experimental and theoretical progress has demonstrated that low-frequency (LF) interlayer Raman modes are more effective at determining layer numbers and stacking configurations, and provide a unique opportunity to study interlayer coupling. These advantages are due to 2DMs’ unique interlayer vibration patterns where each layer behaves as an almost rigidly moving object with restoring forces corresponding to weak interlayer interactions. Compared to HF Raman modes, the relatively small attention originally devoted to LF Raman modes is largely due to their weaker signal and their proximity to the strong Rayleigh line background, which previously made their detection challenging. Recent progress in Raman spectroscopy with technical and hardware upgrades now makes it possible to probe LF modes with a standard single-stage Raman system and has proven crucial to characterize and understand properties of 2DMs. Here, we present a comprehensive and forward-looking review on the current status of exploiting LF Raman modes of 2DMs from both experimental and theoretical perspectives, revealing the fundamental physics and technological significance of LF Raman modes in advancing the field of 2DMs. We review a broad array of materials, with varying thickness and stacking configurations, discuss the effect of in-plane anisotropy, and present a generalized linear chain model and interlayer bond polarizability model to rationalize the experimental findings. We also discuss the instrumental improvements of Raman spectroscopy to enhance and separate LF Raman signals from the Rayleigh line. Lastly, we highlight the opportunities and challenges ahead in this fast-developing field.« less
Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials

DOE PAGES

Liang, Liangbo; Zhang, Jun; Sumpter, Bobby G.; ...

2017-11-03

Ever since the isolation of single-layer graphene in 2004, two-dimensional layered structures have been among the most extensively studied classes of materials. To date, the pool of two-dimensional materials (2DMs) continues to grow at an accelerated pace and already covers an extensive range of fascinating and technologically relevant properties. An array of experimental techniques have been developed and used to fully characterize and understand these properties. In particular, Raman spectroscopy has proven to be a key experimental technique, thanks to its capability to identify minute structural and electronic effects in nondestructive measurements. While high-frequency (HF) intralayer Raman modes have beenmore » extensively employed for 2DMs, recent experimental and theoretical progress has demonstrated that low-frequency (LF) interlayer Raman modes are more effective at determining layer numbers and stacking configurations, and provide a unique opportunity to study interlayer coupling. These advantages are due to 2DMs’ unique interlayer vibration patterns where each layer behaves as an almost rigidly moving object with restoring forces corresponding to weak interlayer interactions. Compared to HF Raman modes, the relatively small attention originally devoted to LF Raman modes is largely due to their weaker signal and their proximity to the strong Rayleigh line background, which previously made their detection challenging. Recent progress in Raman spectroscopy with technical and hardware upgrades now makes it possible to probe LF modes with a standard single-stage Raman system and has proven crucial to characterize and understand properties of 2DMs. Here, we present a comprehensive and forward-looking review on the current status of exploiting LF Raman modes of 2DMs from both experimental and theoretical perspectives, revealing the fundamental physics and technological significance of LF Raman modes in advancing the field of 2DMs. We review a broad array of materials, with varying thickness and stacking configurations, discuss the effect of in-plane anisotropy, and present a generalized linear chain model and interlayer bond polarizability model to rationalize the experimental findings. We also discuss the instrumental improvements of Raman spectroscopy to enhance and separate LF Raman signals from the Rayleigh line. Lastly, we highlight the opportunities and challenges ahead in this fast-developing field.« less
76 FR 19278 - Airworthiness Directives; The Boeing Company Model 747-100, 747-100B, 747-100B SUD, 747-200B, 747...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-07

... are proposing this AD to detect and correct cracking in the fail-safe interlayer of certain No. 2 and... to detect and correct cracking in the fail-safe interlayer of certain No. 2 and No. 3 glass windows... cracking in the fail-safe interlayer of certain No. 2 and No. 3 glass windows, which could result in loss...
Obtention of low oxidation states of copper from Cu 2+-Al 3+ layered double hydroxides containing organic sulfonates in the interlayer

NASA Astrophysics Data System (ADS)

Trujillano, Raquel; Holgado, María Jesús; Rives, Vicente

2009-03-01

A series of hydrotalcite-type compounds containing Cu(II) and Al(III) in the layers, and carbonate or different alkylsulfonates in the interlayer, have been prepared and studied. Calcination of these solids gives rise to formation of metallic copper and Cu 2+ and Cu + oxides or sulfates, depending on the calcination temperature and on the precise nature of the interlayer alkylsulfonate.
Analysis of the influence of the interlayer staggered zone in the basalt of Jinsha River Basin on the main buildings

NASA Astrophysics Data System (ADS)

Guo, Qiaona; Huang, Jiangwei

2018-02-01

In this paper, the finite element software FEFLOW is used to simulate the seepage field of the interlayer staggered zone C2 in the basalt of Jinsha River Basin. The influence of the interlayer staggered zone C2 on the building is analyzed. Combined with the waterproof effect of current design scheme of anti-seepage curtain, the seepage field in the interlayer staggered zone C2 is discussed under different design schemes. The optimal design scheme of anti-seepage curtain is put forward. The results showed that the case four can effectively reduce the head and hydraulic gradient of underground powerhouse area, and improve the groundwater seepage field in the plant area.
ROLE OF PRESSURE IN SMECTITE DEHYDRATION - EFFECTS ON GEOPRESSURE AND SMECTITE-TO-ILLITE TRANSFORMATION.

USGS Publications Warehouse

Colten-Bradley, Virginia

1987-01-01

Evaluation of the effects of pressure on the temperature of interlayer water loss (dehydration) by smectites under diagenetic conditions indicates that smectites are stable as hydrated phases in the deep subsurface. Hydraulic and differential pressure conditions affect dehydration differently. The temperature of dehydration increase with pore fluid pressure and interlayer water density. The temperatures of dehydration increase with pore fluid pressure and interlayer water density. The temperatures of dehydration under differential-presssure conditions are inversely related to pressure and interlayer water density. The model presented assumes the effects of pore fluid composition and 2:1 layer reactivity to be negligible. Agreement between theoretical and experimental results validate this assumption. Additional aspects of the subject are discussed.
Carrier-selective interlayer materials for silicon solar cell contacts

NASA Astrophysics Data System (ADS)

Xue, Muyu; Islam, Raisul; Chen, Yusi; Chen, Junyan; Lu, Ching-Ying; Mitchell Pleus, A.; Tae, Christian; Xu, Ke; Liu, Yi; Kamins, Theodore I.; Saraswat, Krishna C.; Harris, James S.

2018-04-01

This work presents titanium oxide (TiOx) and nickel oxide (NiOx) as promising carrier-selective interlayer materials for metal-interlayer-semiconductor contacts for silicon solar cells. The electron-conducting, hole-blocking behavior of TiOx and the opposite carrier-selective behavior of NiOx are investigated using the transmission-line-method. The Fermi level depinning effect and the tunneling resistance are demonstrated to be dependent on the interlayer oxide thickness and annealing temperature. NiOx is furthermore experimentally demonstrated to be capable of improving the effective minority carrier lifetime by quasi-steady-state photoconductance method. Our study demonstrates that TiOx and NiOx can be effective carrier-selective materials for Si solar cells and provides a framework for characterizing carrier-selective contacts.
Distributed bragg reflector using AIGaN/GaN

DOEpatents

Waldrip, Karen E.; Lee, Stephen R.; Han, Jung

2004-08-10

A supported distributed Bragg reflector or superlattice structure formed from a substrate, a nucleation layer deposited on the substrate, and an interlayer deposited on the nucleation layer, followed by deposition of (Al,Ga,B)N layers or multiple pairs of (Al,Ga,B)N/(Al,Ga,B)N layers, where the interlayer is a material selected from AlN, Al.sub.x Ga.sub.1-x N, and AlBN with a thickness of approximately 20 to 1000 angstroms. The interlayer functions to reduce or eliminate the initial tensile growth stress, thereby reducing cracking in the structure. Multiple interlayers utilized in an AlGaN/GaN DBR structure can eliminate cracking and produce a structure with a reflectivity value greater than 0.99.
Polytypism and unexpected strong interlayer coupling in two-dimensional layered ReS2

NASA Astrophysics Data System (ADS)

Qiao, Xiao-Fen; Wu, Jiang-Bin; Zhou, Linwei; Qiao, Jingsi; Shi, Wei; Chen, Tao; Zhang, Xin; Zhang, Jun; Ji, Wei; Tan, Ping-Heng

2016-04-01

Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and anisotropic-like (AI) N layer (NL, N > 1) ReS2 are revealed by ultralow- and high-frequency Raman spectroscopy, photoluminescence and first-principles density functional theory calculation. Two interlayer shear modes are observed in AI-NL-ReS2 while only one shear mode appears in IS-NL-ReS2, suggesting anisotropic- and isotropic-like stacking orders in IS- and AI-NL-ReS2, respectively. This explicit difference in the observed frequencies identifies an unexpected strong interlayer coupling in IS- and AI-NL-ReS2. Quantitatively, the force constants of them are found to be around 55-90% of those of multilayer MoS2. The revealed strong interlayer coupling and polytypism in multi-layer ReS2 may stimulate future studies on engineering physical properties of other anisotropic 2D materials by stacking orders.Anisotropic two-dimensional (2D) van der Waals (vdW) layered materials, with both scientific interest and application potential, offer one more dimension than isotropic 2D materials to tune their physical properties. Various physical properties of 2D multi-layer materials are modulated by varying their stacking orders owing to significant interlayer vdW coupling. Multilayer rhenium disulfide (ReS2), a representative anisotropic 2D material, was expected to be randomly stacked and lack interlayer coupling. Here, we demonstrate two stable stacking orders, namely isotropic-like (IS) and anisotropic-like (AI) N layer (NL, N > 1) ReS2 are revealed by ultralow- and high-frequency Raman spectroscopy, photoluminescence and first-principles density functional theory calculation. Two interlayer shear modes are observed in AI-NL-ReS2 while only one shear mode appears in IS-NL-ReS2, suggesting anisotropic- and isotropic-like stacking orders in IS- and AI-NL-ReS2, respectively. This explicit difference in the observed frequencies identifies an unexpected strong interlayer coupling in IS- and AI-NL-ReS2. Quantitatively, the force constants of them are found to be around 55-90% of those of multilayer MoS2. The revealed strong interlayer coupling and polytypism in multi-layer ReS2 may stimulate future studies on engineering physical properties of other anisotropic 2D materials by stacking orders. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01569g
Tailoring graphene layer-to-layer growth

NASA Astrophysics Data System (ADS)

Li, Yongtao; Wu, Bin; Guo, Wei; Wang, Lifeng; Li, Jingbo; Liu, Yunqi

2017-06-01

A layered material grown between a substrate and the upper layer involves complex interactions and a confined reaction space, representing an unusual growth mode. Here, we show multi-layer graphene domains grown on liquid or solid Cu by the chemical vapor deposition method via this ‘double-substrate’ mode. We demonstrate the interlayer-induced coupling effect on the twist angle in bi- and multi-layer graphene. We discover dramatic growth disunity for different graphene layers, which is explained by the ideas of a chemical ‘gate’ and a material transport process within a confined space. These key results lead to a consistent framework for understanding the dynamic evolution of multi-layered graphene flakes and tailoring the layer-to-layer growth for practical applications.
Tungsten fragmentation in nuclear reactions induced by high-energy cosmic-ray protons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chechenin, N. G., E-mail: chechenin@sinp.msu.ru; Chuvilskaya, T. V.; Shirokova, A. A.

2015-01-15

Tungsten fragmentation arising in nuclear reactions induced by cosmic-ray protons in space-vehicle electronics is considered. In modern technologies of integrated circuits featuring a three-dimensional layered architecture, tungsten is frequently used as a material for interlayer conducting connections. Within the preequilibrium model, tungsten-fragmentation features, including the cross sections for the elastic and inelastic scattering of protons of energy between 30 and 240 MeV; the yields of isotopes and isobars; their energy, charge, and mass distributions; and recoil energy spectra, are calculated on the basis of the TALYS and EMPIRE-II-19 codes. It is shown that tungsten fragmentation affects substantially forecasts of failuresmore » of space-vehicle electronics.« less
Characterization of the mechanical and thermal interface of copper films on carbon substrates modified by boron based interlayers

PubMed Central

Schäfer, D.; Eisenmenger-Sittner, C.; Chirtoc, Mihai; Kijamnajsuk, P.; Kornfeind, N.; Hutter, H.; Neubauer, E.; Kitzmantel, M.

2011-01-01

The manipulation of mechanical and thermal interfaces is essential for the design of modern composites. Amongst these are copper carbon composites which can exhibit excellent heat conductivities if the Cu/C interface is affected by a suitable interlayer to minimize the Thermal Contact Resistance (TCR) and to maximize the adhesion strength between Cu and C. In this paper we report on the effect of boron based interlayers on wetting, mechanical adhesion and on the TCR of Cu coatings deposited on glassy carbon substrates by magnetron sputtering. The interlayers were 5 nm thick and consisted of pure B and B with additions of the carbide forming metals Mo, Ti and Cr in the range of 5 at.% relative to B. The interlayers were deposited by RF magnetron sputtering from either a pure B target or from a composite target. The interlayer composition was checked by Auger Electron Spectroscopy and found to be homogenous within the whole film. The system C-substrate/interlayer/Cu coating was characterized in as deposited samples and samples heat treated for 30 min at 800 °C under High Vacuum (HV), which mimics typical hot pressing parameters during composite formation. Material transport during heat treatment was investigated by Secondary Ion Mass Spectroscopy (SIMS). The de-wetting and hole formation in the Cu coating upon heat treatment were studied by Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). The adhesion of the Cu coating was evaluated by mechanical pull-off testing. The TCR was assessed by infrared photothermal radiometry (PTR). A correlation between the adhesion strength and the value of the TCR which was measured by PTR was determined for as deposited as well as for heat treated samples. PMID:22241938
Robust Stacking-Independent Ultrafast Charge Transfer in MoS2/WS2 Bilayers.

PubMed

Ji, Ziheng; Hong, Hao; Zhang, Jin; Zhang, Qi; Huang, Wei; Cao, Ting; Qiao, Ruixi; Liu, Can; Liang, Jing; Jin, Chuanhong; Jiao, Liying; Shi, Kebin; Meng, Sheng; Liu, Kaihui

2017-12-26

Van der Waals-coupled two-dimensional (2D) heterostructures have attracted great attention recently due to their high potential in the next-generation photodetectors and solar cells. The understanding of charge-transfer process between adjacent atomic layers is the key to design optimal devices as it directly determines the fundamental response speed and photon-electron conversion efficiency. However, general belief and theoretical studies have shown that the charge transfer behavior depends sensitively on interlayer configurations, which is difficult to control accurately, bringing great uncertainties in device designing. Here we investigate the ultrafast dynamics of interlayer charge transfer in a prototype heterostructure, the MoS 2 /WS 2 bilayer with various stacking configurations, by optical two-color ultrafast pump-probe spectroscopy. Surprisingly, we found that the charge transfer is robust against varying interlayer twist angles and interlayer coupling strength, in time scale of ∼90 fs. Our observation, together with atomic-resolved transmission electron characterization and time-dependent density functional theory simulations, reveals that the robust ultrafast charge transfer is attributed to the heterogeneous interlayer stretching/sliding, which provides additional channels for efficient charge transfer previously unknown. Our results elucidate the origin of transfer rate robustness against interlayer stacking configurations in optical devices based on 2D heterostructures, facilitating their applications in ultrafast and high-efficient optoelectronic and photovoltaic devices in the near future.
Enhanced performance of lithium-sulfur batteries with an ultrathin and lightweight MoS2/carbon nanotube interlayer

NASA Astrophysics Data System (ADS)

Yan, Lingjia; Luo, Nannan; Kong, Weibang; Luo, Shu; Wu, Hengcai; Jiang, Kaili; Li, Qunqing; Fan, Shoushan; Duan, Wenhui; Wang, Jiaping

2018-06-01

Ultrathin and lightweight MoS2/carbon nanotube (CNT) interlayers are developed to effectively trap polysulfides in high-performance lithium-sulfur (Li-S) batteries. The MoS2/CNT interlayer is constructed by loading MoS2 nanosheets onto a cross-stacked CNT film. The CNT film with excellent conductivity and superior mechanical properties provides the Li-S batteries with a uniform conductive network, a supporting skeleton for the MoS2 nanosheets, as well as a physical barrier for the polysulfides. Moreover, chemical interactions and bonding between the MoS2 nanosheets and the polysulfides are evident. The electrode with the MoS2/CNT interlayer delivers an attractive specific capacity of 784 mA h g-1 at a high capacity rate of 10 C. In addition, the electrode demonstrates a high initial capacity of 1237 mA h g-1 and a capacity fade as low as -0.061% per cycle over 500 charge/discharge cycles at 0.2 C. The problem of self-discharge can also be suppressed with the introduction of the MoS2/CNT interlayer. The simple fabrication procedure, which is suitable for commercialization, and the outstanding electrochemical performance of the cells with the MoS2/CNT interlayer demonstrate a great potential for the development of high-performance Li-S batteries.
Designing interlayers to improve the mechanical reliability of transparent conductive oxide coatings on flexible substrates

NASA Astrophysics Data System (ADS)

Kim, Eun-Hye; Yang, Chan-Woo; Park, Jin-Woo

2012-05-01

In this study, we investigate the effect of interlayers on the mechanical properties of transparent conductive oxide (TCO) on flexible polymer substrates. Indium tin oxide (ITO), which is the most widely used TCO film, and Ti, which is the most widely used adhesive interlayer, are selected as the coating and the interlayer, respectively. These films are deposited on the polymer substrates using dc-magnetron sputtering to achieve varying thicknesses. The changes in the following critical factors for film cracking and delamination are analyzed: the internal stress (σi) induced in the coatings during deposition using a white light interferometer, the crystallinity using a transmission electron microscope, and the surface roughness of ITO caused by the interlayer using an atomic force microscope. The resistances to the cracking and delamination of ITO are evaluated using a fragmentation test. Our tests and analyses reveal the important role of the interlayers, which significantly reduce the compressive σi that is induced in the ITO and increase the resistance to the buckling delamination of the ITO. However, the relaxation of σi is not beneficial to cracking because there is less compensation for the external tension as σi further decreases. Based on these results, the microstructural control is revealed as a more influential factor than σi for improving crack resistance.

Brightened spin-triplet interlayer excitons and optical selection rules in van der Waals heterobilayers

NASA Astrophysics Data System (ADS)

Yu, Hongyi; Liu, Gui-Bin; Yao, Wang

2018-07-01

We investigate the optical properties of spin-triplet interlayer excitons in heterobilayer transition metal dichalcogenides in comparison with the spin-singlet ones. Surprisingly, the optical transition dipole of the spin-triplet exciton is found to be in the same order of magnitude to that of the spin-singlet exciton, in sharp contrast to the monolayer excitons where the spin-triplet species is considered as dark compared to the singlet. Unlike the monolayer excitons whose spin-conserved (spin-flip) transition dipole can only couple to light of in-plane (out-of-plane) polarisation, such restriction is removed for the interlayer excitons due to the breaking of the out-of-plane mirror symmetry. We find that as the interlayer atomic registry changes, the optical transition dipole of interlayer exciton crosses between in-plane ones of opposite circular polarizations and the out-of-plane one for both the spin-triplet and spin-singlet species. As a result, excitons of both species have non-negligible coupling into photon modes of both in-plane and out-of-plane propagations, another sharp difference from the monolayers where the exciton couples predominantly into the out-of-plane propagation channel. At given atomic registry, the spin-triplet and spin-singlet excitons have distinct valley polarisation selection rules, allowing the selective optical addressing of both the valley configuration and the spin-singlet/triplet configuration of interlayer excitons.
Molecular Dynamics Study of Crystalline Swelling of Montmorillonite as Affected by Interlayer Cation Hydration

NASA Astrophysics Data System (ADS)

Li, Hongliang; Song, Shaoxian; Dong, Xianshu; Min, Fanfei; Zhao, Yunliang; Peng, Chenliang; Nahmad, Yuri

2018-04-01

Swelling of montmorillonite (Mt) is an important factor for many industrial applications. In this study, crystalline swelling of alkali-metal- and alkaline-earth-metal-Mt has been studied through energy optimization and molecular dynamics simulations using the clay force field by Materials Studio 8.0. The delamination and exfoliation of Mt are primarily realized by crystalline swelling caused by the enhanced interlayer cation hydration. The initial position of the interlayer cations and water molecules is the dominated factor for the accuracy of the Mt simulations. Crystalline swelling can be carried out in alkali-metal-Mt and Mg-Mt but with difficulty in Ca-Mt, Sr-Mt and Ba-Mt. The crystalline swelling capacity values are in the order Na-Mt > K-Mt > Cs-Mt > Mg-Mt. This order of crystalline swelling of Mt in the same group can be attributed to the differences between the interlayer cation hydration strengths. In addition, the differences in the crystalline swelling between the alkali-metal-Mt and alkaline-earth-metal-Mt can be primarily attributed to the valence of the interlayer cations.
A shape-based inter-layer contours correspondence method for ICT-based reverse engineering

PubMed Central

Duan, Liming; Yang, Shangpeng; Zhang, Gui; Feng, Fei; Gu, Minghui

2017-01-01

The correspondence of a stack of planar contours in ICT (industrial computed tomography)-based reverse engineering, a key step in surface reconstruction, is difficult when the contours or topology of the object are complex. Given the regularity of industrial parts and similarity of the inter-layer contours, a specialized shape-based inter-layer contours correspondence method for ICT-based reverse engineering was presented to solve the above problem based on the vectorized contours. In this paper, the vectorized contours extracted from the slices consist of three graphical primitives: circles, arcs and segments. First, the correspondence of the inter-layer primitives is conducted based on the characteristics of the primitives. Second, based on the corresponded primitives, the inter-layer contours correspond with each other using the proximity rules and exhaustive search. The proposed method can make full use of the shape information to handle industrial parts with complex structures. The feasibility and superiority of this method have been demonstrated via the related experiments. This method can play an instructive role in practice and provide a reference for the related research. PMID:28489867
A shape-based inter-layer contours correspondence method for ICT-based reverse engineering.

PubMed

Duan, Liming; Yang, Shangpeng; Zhang, Gui; Feng, Fei; Gu, Minghui

2017-01-01

The correspondence of a stack of planar contours in ICT (industrial computed tomography)-based reverse engineering, a key step in surface reconstruction, is difficult when the contours or topology of the object are complex. Given the regularity of industrial parts and similarity of the inter-layer contours, a specialized shape-based inter-layer contours correspondence method for ICT-based reverse engineering was presented to solve the above problem based on the vectorized contours. In this paper, the vectorized contours extracted from the slices consist of three graphical primitives: circles, arcs and segments. First, the correspondence of the inter-layer primitives is conducted based on the characteristics of the primitives. Second, based on the corresponded primitives, the inter-layer contours correspond with each other using the proximity rules and exhaustive search. The proposed method can make full use of the shape information to handle industrial parts with complex structures. The feasibility and superiority of this method have been demonstrated via the related experiments. This method can play an instructive role in practice and provide a reference for the related research.
Interplay between Interfacial Structures and Device Performance in Organic Solar Cells: A Case Study with the Low Work Function Metal, Calcium.

PubMed

Ju, Huanxin; Knesting, Kristina M; Zhang, Wei; Pan, Xiao; Wang, Chia-Hsin; Yang, Yaw-Wen; Ginger, David S; Zhu, Junfa

2016-01-27

A better understanding of how interfacial structure affects charge carrier recombination would benefit the development of highly efficient organic photovoltaic (OPV) devices. In this paper, transient photovoltage (TPV) and charge extraction (CE) measurements are used in combination with synchrotron radiation photoemission spectroscopy (SRPES) to gain insight into the correlation between interfacial properties and device performance. OPV devices based on PCDTBT/PC71BM with a Ca interlayer were studied as a reference system to investigate the interfacial effects on device performance. Devices with a Ca interlayer exhibit a lower recombination than devices with only an Al cathode at a given charge carrier density (n). In addition, the interfacial band structures indicate that the strong dipole moment produced by the Ca interlayer can facilitate the extraction of electrons and drive holes away from the cathode/polymer interface, resulting in beneficial reduction in interfacial recombination losses. These results help explain the higher efficiencies of devices made with Ca interlayers compared to that without the Ca interlayer.
Polarization Coupling in Ferroelectric Multilayers as a Function of Interface Charge Concentration

NASA Astrophysics Data System (ADS)

Okatan, Mahmut; Mantese, Joseph; Alpay, Pamir

2009-03-01

Intriguing properties of multilayered and graded ferroelectrics follow from the electrostatic and electromechanical interactions. The strength of the interlayer coupling depends on the concentration of interfacial defects with short-range local electrostatic fields. Defects may locally relax polarization differences and thus reduce the commensurate bound charge concentration at the interlayer interfaces. In this talk, we develop a theoretical analysis based on non-linear thermodynamics coupled with basic electrostatic relations to understand the role of charge compensation at the interlayer interfaces. The results show multilayered ferroelectrics with systematic variations in the composition may display a colossal dielectric response depending upon the interlayer electrostatic interactions. It is expected that other properties such as the pyroelectric and piezoelectric response will yield concomitant increases through the dielectric permittivity.
Interlayer Pairing Symmetry of Composite Fermions in Quantum Hall Bilayers

DOE PAGES

Isobe, Hiroki; Fu, Liang

2017-04-17

Here, we study the pairing symmetry of the interlayer paired state of composite fermions in quantum Hall bilayers. Based on the Halperin-Lee-Read (HLR) theory, the effect of the long-range Coulomb interaction and the internal Chern-Simons gauge fluctuation is analyzed with the random-phase approximation beyond the leading order contribution in small momentum expansion, and we observe that the interlayer paired states with a relative angular momentummore » $l=+1$ are energetically favored for filling ν=$$\\frac{1}2$$+$$\\frac{1}2$$ and $$\\frac{1}4$$+$$\\frac{1}4$$. The degeneracy between states with $±l$ is lifted by the interlayer density-current interaction arising from the interplay of the long-range Coulomb interaction and the Chern-Simons term in the HLR theory.« less
Reduction-responsive interlayer-crosslinked micelles prepared from star-shaped copolymer via click chemistry for drug controlled release

NASA Astrophysics Data System (ADS)

Dai, Yu; Wang, Hongquan; Zhang, Xiaojin

2017-12-01

To improve the stability of polymeric micelles, here we describe interlayer-crosslinked micelles prepared from star-shaped copolymer via click chemistry. The formation of interlayer-crosslinked micelles was investigated and confirmed by proton nuclear magnetic resonance, Fourier-transform infrared spectroscopy, and fluorescence spectroscopy. The morphology of un-crosslinked micelles and crosslinked micelles observed by transmission electron microscope is both uniform nano-sized spheres (approximately 20 nm). The crosslinking enhances the stability of polymeric micelles and improves the drug loading capacity of polymeric micelles. The interlayer-crosslinked micelles prepared from star-shaped copolymer and a crosslinker containing a disulfide bond are reduction-responsive and can release the drug quickly in the presence of the reducing agents such as glutathione (GSH).
Effects of interlayer Sn-Sn lone pair interaction on the band gap of bulk and nanosheet SnO

NASA Astrophysics Data System (ADS)

Umezawa, Naoto; Zhou, Wei

2015-03-01

Effects of interlayer lone-pair interactions on the electronic structure of SnO are firstly explored by the density-functional theory. Our comprehensive study reveals that the band gap of SnO opens as increase in the interlayer Sn-Sn distance. The effect is rationalized by the character of band edges which consists of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the double-layer SnO is a promising material for visible-light driven photocatalyst for hydrogen evolution. This work is supported by the Japan Science and Technology Agency (JST) Precursory Research for Embryonic Science and Technology (PRESTO) program.
Ab initio simulation of changes in geometry, electronic structure, and Gibbs free energy caused by dehydration of hydrotalcites containing Cl⁻ and CO₃²⁻ counteranions.

PubMed

Costa, Deyse G; Rocha, Alexandre B; Souza, Wladmir F; Chiaro, Sandra Shirley X; Leitão, Alexandre A

2011-04-07

This ab initio study was performed to better understand the correlation between intercalated water molecules and layered double hydroxides (LDH), as well as the changes that occur by the dehydration process of Zn-Al hydrotalcite-like compounds containing Cl⁻ and CO₃²⁻ counterions. We have verified that the strong interaction among intercalated water molecules, cointercalated anions, and OH groups from hydroxyl layers is reflected in the thermal stability of these compounds. The Zn(2/3)Al(1/3)(OH)₂Cl(1/3)·2/3H₂O hydrotalcite loses all the intercalated water molecules around 125 °C, while the Zn(2/3)Al(1/3)(OH)₂(CO₃)(1/6)·4/6H₂O compound dehydrates at about 175 °C. These values are in good agreement with experimental data. The interlayer interactions were discussed on the basis of electron density difference analyses. Our calculation shows that the electron density in the interlayer region decreases during the dehydration process, inducing the migration of the Cl⁻ anion and the displacement of the hydroxyl layer from adjacent layers. Changes in these compound structures occur to recover part of the hydrogen bonds broken due to the removal of water molecules. It was observed that the chloride ion had initially a lower Löwdin charge (Cl(-0.43)), which has increased its absolute value (Cl(-0.58)) after the water molecules removal, while the charges on carbonate ions remain invariant, leading to the conclusion that the Cl⁻ anion can be more influenced by the amount of water molecules in the interlayer space than the CO₃²⁻ anion in hydrotalcite-like compounds.
Isosteric heat of water adsorption and desorption in homoionic alkaline-earth montmorillonites

NASA Astrophysics Data System (ADS)

Belhocine, M.; Haouzi, A.; Bassou, G.; Phou, T.; Maurin, D.; Bantignies, J. L.; Henn, F.

2018-02-01

The aim of the present work is to study by means of thermodynamic measurements and Infrared spectroscopy, the effect of the interlayer cations on the adsorption-desorption of water in the case of a montmorillonite exchanged with alkaline-earth metals. For the first time, the net isosteric heat of water adsorption and desorption is determined from isotherms recorded at three temperatures. The net isosteric heat is a very useful parameter for getting more insights into the sorption mechanism since it provides information about the sorption energy evolution which can be complementary to that obtained from structural or gravimetric measurements. The homoionic montmorillonite samples are prepared from purification and cationic exchanged in aqueous solution of the raw material, i.e. the reference SWy-2 Wyoming material. XRD at the dry state and elemental chemical analysis confirm that the treatment does not deteriorate the clay structure and yield the expected homoionic composition. The sorption isotherms measured at various temperatures show that the nature of the interlayer, i.e. exchangeable, cation changes the adsorbed/desorbed amount of water molecules for a given water relative pressure. The total amount of water adsorbed at P/P∘ = 0.5 follows the cation sequence Ca ∼ Mg>Ba while the sorption isosteric heats follow a slightly different sequence, i.e. Ca > Mg>Ba. This discrepancy between the adsorption and desorption heat is due to the higher irreversibility of water sorption process in the Ca exchanged montmorillonite. Finally, analysis of the IR spectra recorded at room temperature and under a primary vacuum reveals that the amount of adsorbed water follows the same sequence as that of the isosteric heat of adsorption and shows the coexistence of liquid-like and solid-like water confined in the interlayer space.
Low Li+ Insertion Barrier Carbon for High Energy Efficient Lithium-Ion Capacitor.

PubMed

Lee, Wee Siang Vincent; Huang, Xiaolei; Tan, Teck Leong; Xue, Jun Min

2018-01-17

Lithium-ion capacitor (LIC) is an attractive energy-storage device (ESD) that promises high energy density at moderate power density. However, the key challenge in its design is the low energy efficient negative electrode, which barred the realization of such research system in fulfilling the current ESD technological inadequacy due to its poor overall energy efficiency. Large voltage hysteresis is the main issue behind high energy density alloying/conversion-type materials, which reduces the electrode energy efficiency. Insertion-type material though averted in most research due to the low capacity remains to be highly favorable in commercial application due to its lower voltage hysteresis. To further reduce voltage hysteresis and increase capacity, amorphous carbon with wider interlayer spacing has been demonstrated in the simulation result to significantly reduce Li + insertion barrier. Hence, by employing such amorphous carbon, together with disordered carbon positive electrode, a high energy efficient LIC with round-trip energy efficiency of 84.3% with a maximum energy density of 133 Wh kg -1 at low power density of 210 W kg -1 can be achieved.
Synthesis and characterization of graphene oxide using modified Hummer's method

NASA Astrophysics Data System (ADS)

Kaur, Manpreet; Kaur, Harsimran; Kukkar, Deepak

2018-05-01

In the present study, a simple approach has been followed for the synthesis of graphene oxide (GO) using modified Hummers method in which graphite powder was oxidized in the presence of concentrated H2SO4 and KMnO4. The amount of NaNO3 and KMnO4 was varied to produce sheet like structure. The varied concentrations of NaNO3 and KMnO4 resulted in yielding large amount of the product. Structural, morphological and physicochemical features of the product were studied using UV-Visible spectrophotometer, Fourier Transform infrared spectroscopy (FTIR), and crystal structure was determined using X-ray powder diffraction (XRD). UV-Vis spectra of GO was observed at a maximum absorption of 230 nm due to (π-π*) transition of atomic carbon-carbon bonds. FTIR spectra revealed the presence of oxygen containing functional groups which ensures the complete exfoliation of graphite into graphene oxide X-ray powder diffraction pattern of the product showed the diffraction peak at (2θ = 26.7°) with an interlayer spacing of 0.334 nm. All the above characterizations successfully confirmed the formation of GO.
First-Principles Prediction of Thermodynamically Stable Two-Dimensional Electrides

DOE PAGES

Ming, Wenmei; Yoon, Mina; Univ. of Tennessee, Knoxville, TN; ...

2016-10-21

Two-dimensional (2D) electrides, emerging as a new type of layered material whose electrons are confined in interlayer spaces instead of at atomic proximities, are receiving interest for their high performance in various (opto)electronics and catalytic applications. Experimentally, however, 2D electrides have been only found in a couple of layered nitrides and carbides. We report new thermodynamically stable alkaline-earth based 2D electrides by using a first-principles global structure optimization method, phonon spectrum analysis, and molecular dynamics simulation. The method was applied to binary compounds consisting of alkaline-earth elements as cations and group VA, VIA, or VIIA nonmetal elements as anions. Wemore » also revealed that the stability of a layered 2D electride structure is closely related to the cation/anion size ratio; stable 2D electrides possess a sufficiently large cation/anion size ratio to minimize electrostatic energy among cations, anions, and anionic electrons. This work demonstrates a new avenue to the discovery of thermodynamically stable 2D electrides beyond experimental material databases and provides new insight into the principles of electride design.« less
Efficient silver modification of TiO2 nanotubes with enhanced photocatalytic activity

NASA Astrophysics Data System (ADS)

Huang, Jing; Ding, Lei; Xi, Yaoning; Shi, Liang; Su, Ge; Gao, Rongjie; Wang, Wei; Dong, Bohua; Cao, Lixin

2018-06-01

In this paper, Ag(CH3NH2)2+, Ag(NH3)2+ and Ag+ with different radii have been used as silver sources to find out the distribution of Ag ions on the H-TNT surface, which is critical to the final performance. The influence of this distribution on visible photocatalytic activity is further studied. The results indicate that, when Ag+ used as silver source with low concentration, these small sized silver ions mainly distribute on interlayer spacing of H-TNT. After heat-treatment and photo-reduction, the generated silver nanoparticles uniformly embed in the anatase TiO2 nanotube walls, and bring large interfacial area between Ag particles and TiO2 nanotubes. The separation effect of photogenerated electron-hole pair in TiO2 is enhanced by Ag particles, and achieves the best at 0.15 g/L, much higher than P25, TiO2/0, Ag-N@TiO2 and Ag-C-N@TiO2. This paper provides new ideas for the modification of TiO2 nanotubes.
Process optimization for diffusion bonding of tungsten with EUROFER97 using a vanadium interlayer

NASA Astrophysics Data System (ADS)

Basuki, Widodo Widjaja; Aktaa, Jarir

2015-04-01

Solid-state diffusion bonding is a selected joining technology to bond divertor components consisting of tungsten and EUROFER97 for application in fusion power plants. Due to the large mismatch in their coefficient of thermal expansions, which leads to serious thermally induced residual stresses after bonding, a thin vanadium plate is introduced as an interlayer. However, the diffusion of carbon originated from EUROFER97 in the vanadium interlayer during the bonding process can form a vanadium carbide layer, which has detrimental influences on the mechanical properties of the joint. For optimal bonding results, the thickness of this layer and the residual stresses has to be decreased sufficiently without a significant reduction of material transport especially at the vanadium/tungsten interface, which can be achieved by varying the diffusion bonding temperature and duration. The investigation results show that at a sufficiently low bonding temperature of 700 °C and a bonding duration of 4 h, the joint reaches a reasonable high ductility and toughness especially at elevated test temperature of 550 °C with elongation to fracture of 20% and mean absorbed Charpy impact energy of 2 J (using miniaturized Charpy impact specimens). The strength of the bonded materials is about 332 MPa at RT and 291 MPa at 550 °C. Furthermore, a low bonding temperature of 700 °C can also help to avoid the grain coarsening and the alteration of the grain structure especially of the EUROFER97 close to the bond interface.
Design of Co/Pd multilayer system with antiferromagnetic-to-ferromagnetic phase transition

NASA Astrophysics Data System (ADS)

Thiele, Jan-Ulrich

2009-03-01

Among the known magnetic material systems there are only very few examples of materials that undergo a temperature dependent antiferromagnetic-to-ferromagnetic phase transition, and of these only the chemically ordered alloy FeRh exhibits this transition near room temperature [1, 2]. Here we present a perpendicular anisotropy multilayer structure that mimics FeRh. The basic idea is to use two stacks of Co/Pd multilayers with large perpendicular magnetic anisotropy and high Curie temperature, TC, separated by a layer providing antiferromagnetic coupling, and a CoNi/Pd multilayer with perpendicular anisotropy with a lower TC, interlayer, in the range of the desired AF-FM transition temperature, TAF-FM. At room temperature this system behaves as two antiferromagnetically coupled layers with a low perpendicular remanent magnetic moment. As the temperature is raised to approach TC, interlayer the magnetization of the interlayer is gradually reduced to zero, and consequently its coupling strength is reduced. Eventually, the effective coupling between the two high-KU, high-TC layers becomes dominated by their dipolar fields, resulting in a parallel alignment of their moments and a net remanent magnetic moment equal to the sum of the moments of the two high-TC layers [2]. [4pt] [1] J. S. Kouvel and C. C. Hartelius, J. Appl. Phys. 33 (1962) p1343 [0pt] [2] J.-U. Thiele, E. E. Fullerton, S. Maat, Appl. Phys. Lett. 82 (2003) p2859 [0pt] [3] J.-U. Thiele. T. Hauet. O. Hellwig, Appl. Phys. Lett. 92 (2008) 242502.
Influence of MoOx interlayer on the maximum achievable open-circuit voltage in organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Zou, Yunlong; Holmes, Russell

2013-03-01

Transition metal oxides including molybdenum oxide (MoOx) are characterized by large work functions and deep energy levels relative to the organic semiconductors used in photovoltaic cells (OPVs). These materials have been used in OPVs as interlayers between the indium-tin-oxide anode and the active layers to increase the open-circuit voltage (VOC) and power conversion efficiency. We examine the role of MoOx in determining the maximum achievable VOC in planar heterojunction OPVs based on the donor-acceptor pairing of boron subphthalocyanine chloride (SubPc) and C60. While causing minor changes in VOC at room temperature, the inclusion of MoOx significantly changes the temperature dependence of VOC. Devices containing no interlayer show a maximum VOC\\ of 1.2 V, while devices containing MoOx show no saturation in VOC, reaching a value of >1.4 V at 110 K. We propose that the MoOx-SubPc interface forms a dissociating Schottky junction that provides an additional contribution to VOC at low temperature. Separate measurements of photoluminescence confirm that excitons in SubPc can be quenched by MoOx. Charge transfer at this interface is by hole extraction from SubPc to MoOx, and this mechanism favors donors with a deep highest occupied molecular orbital (HOMO) energy level. Consistent with this expectation, the temperature dependence of VOC for devices constructed using a donor with a shallower HOMO level, e.g. copper phthalocyanine, is independent of the presence of MoOx.
Modeling of wave processes in blocky media with porous and fluid-saturated interlayers

NASA Astrophysics Data System (ADS)

Sadovskii, Vladimir M.; Sadovskaya, Oxana V.; Lukyanov, Alexander A.

2017-09-01

The wave processes in blocky media are analyzed by applying different mathematical models, wherein the elastic blocks interact with each other via pliant interlayers with the complex mechanical properties. Four versions of constitutive equations are considered. In the first version, an elastic interaction between the blocks is simulated within the framework of linear elasticity theory, and the model of elastic-plastic interlayers is constructed to take into account the appearance of irreversible deformation of interlayers at short time intervals. In the second one, the effects of viscoelastic shear in the interblock interlayers are taken into the consideration using the Poynting-Thomson rheological scheme. In the third option, the model of an elastic porous material is used in the interlayers, where the pores collapse if an abrupt compressive stress is applied. In the fourth case, the model of a fluid-saturated material with open pores is examined based on Biot's equations. The collapse of pores is modeled by the generalized rheological approach, wherein the mechanical properties of a material are simulated using four rheological elements. Three of them are the traditional elastic, viscous and plastic elements, the fourth element is the so-called rigid contact, which is used to describe the behavior of materials with the different resistance to tension and compression. It was shown that the thermodynamically consistent model is provided, which means that the energy balance equation is fulfilled for an entire blocky structure, where the kinetic and potential energy of the system is the sum of the kinetic and potential energies of the blocks and interlayers. Under numerical implementation of the interlayers models, the dissipationless finite difference Ivanov's method was used. The splitting method by spatial variables in the combination with the Godunov gap decay scheme was applied in the blocks. As a result, robust and stable computational algorithms are built and tested. Using MPI technology, the parallel software was designed for the modeling of wave processes in 2D setting. The numerical results are presented, discussed and future studies are outlined.
Dynamics of radiocesium exchange and interstratification in anhydrous clay interlayers: Bridging the atom and single crystal scales

NASA Astrophysics Data System (ADS)

Lammers, L. N.; Pestana, L. R.; Schaettle, K. B.; Head-Gordon, T.

2016-12-01

High structural charge clay minerals govern the transport and retention of radiocesium in soils and clay-rich geologic repositories. Cation exchange capacities in these phases are typically assumed to be limited to fast-exchanging basal and high-affinity edge sites, while ions in anhydrous interlayers, usually K+, are considered non-exchangeable. However, recent high resolution imaging and spectroscopic studies have demonstrated that Cs ions can in fact exchange with interlayer K without the formation of a hydrated intermediate.1,2 These exchange reactions result in sharp exchange fronts wherein K+ ions are completely replaced by Cs+ at the exchange interface, and the rate of exchange varies from layer to layer, resulting in the formation of interstratified structures (i.e., randomly alternating layers of exchanged and pristine interlayers). Currently, this process cannot be explained by any known exchange mechanism, and consequently, no kinetic expressions are available to account for this phenomenon in models of subsurface radiocesium fate and transport. We present a mesoscale model for direct exchange in anhydrous clay interlayers that is based on the kinetics of single ion migration events. Single atom migration kinetics derived from density functional theory (DFT) calculations are used as inputs to kinetic Monte Carlo (kMC) simulations, which capture the collective dynamics of the exchange process over length- and timescales relevant for implementation in reactive transport models. Potential energy surfaces derived from DFT demonstrate that exchange of Cs+ for K+ in anhydrous interlayers lowers the energy barrier to K ion migration by 145 kJ/mol, leading to a positive feedback mechanism that generates atomically sharp exchange fronts. Our work demonstrates the application of "coarse-graining" techniques to develop models for processes with characteristic length- and timescales not accessible by direct atomistic simulation. 1 Okumura T. et al. (2014) Direct observation of cesium at the interlayer region in phlogopite mica. Microscopy 63(1), 65-72. 2 Fuller A. J. et al. (2015) Caesium incorporation and retention in illite interlayers. Appl. Clay Sci. 108, 128-134.

Interlayer utilization (including metal borides) for subsequent deposition of NSD films via microwave plasma CVD on 316 and 440C stainless steels

NASA Astrophysics Data System (ADS)

Ballinger, Jared

Diamond thin films have promising applications in numerous fields due to the extreme properties of diamonds in conjunction with the surface enhancement of thin films. Biomedical applications are numerous including temporary implants and various dental and surgical instruments. The unique combination of properties offered by nanostructured diamond films that make it such an attractive surface coating include extreme hardness, low obtainable surface roughness, excellent thermal conductivity, and chemical inertness. Regrettably, numerous problems exist when attempting to coat stainless steel with diamond generating a readily delaminated film: outward diffusion of iron to the surface, inward diffusion of carbon limiting necessary surface carbon precursor, and the mismatch between the coefficients of thermal expansion yielding substantial residual stress. While some exotic methods have been attempted to overcome these hindrances, the most common approach is the use of an intermediate layer between the stainless steel substrate and the diamond thin film. In this research, both 316 stainless steel disks and 440C stainless steel ball bearings were tested with interlayers including discrete coatings and graded, diffusion-based surface enhancements. Titanium nitride and thermochemical diffusion boride interlayers were both examined for their effectiveness at allowing for the growth of continuous and adherent diamond films. Titanium nitride interlayers were deposited by cathodic arc vacuum deposition on 440C bearings. Lower temperature diamond processing resulted in improved surface coverage after cooling, but ultimately, both continuity and adhesion of the nanostructured diamond films were unacceptable. The ability to grow quality diamond films on TiN interlayers is in agreement with previous work on iron and low alloy steel substrates, and the similarly seen inadequate adhesion strength is partially a consequence of the lacking establishment of an interfacial carbide phase. Surface boriding was implemented using the novel method of microwave plasma CVD with a mixture of hydrogen and diborane gases. On 440C bearings, dual phase boride layers of Fe2B and FeB were formed which supported adhered nanostructured diamond films. Continuity of the films was not seamless with limited regions remaining uncoated potentially corresponding to delamination of the film as evidenced by the presence of tubular structures presumably composed of sp2 bonded carbon. Surface boriding of 316 stainless steel discs was conducted at various powers and pressures to achieve temperatures ranging from 550-800 °C. The substrate boriding temperature was found to substantially influence the resultant interlayer by altering the metal boride(s) present. The lowest temperatures produced an interlayer where CrB was the single detected phase, higher temperatures yielded the presence of only Fe2B, and a combination of the two phases resulted from an intermediate boriding temperature. Compared with the more common, commercialized boriding methods, this a profound result given the problems posed by the FeB phase in addition to other advantages offered by CVD processes and microwave generated plasmas in general. Indentation testing of the boride layers revealed excellent adhesion strength for all borided interlayers, and above all, no evidence of cracking was observed for a sole Fe2B phase. As with boriding of 440C bearings, subsequent diamond deposition was achieved on these interlayers with substantially improved adhesion strength relative to diamond coated TiN interlayers. Both XRD and Raman spectroscopy confirmed a nanostructured diamond film with interfacial chromium carbides responsible for enhanced adhesion strength. Interlayers consisting solely of Fe2B have displayed an ability to support fully continuous nanostructured diamond films, yet additional study is required for consistent reproduction. This is in good agreement with initial work on pack borided high alloy steels to promote diamond film surface modification. The future direction for continued research of nanostructured diamond coatings on microwave plasma CVD borided stainless steel should further investigate the adhesion of both borided interlayers and subsequent NSD films in addition to short, interrupted diamond depositions to study the interlayer/diamond film interface.
Effect of capping layer on interlayer coupling in synthetic spin valves

NASA Astrophysics Data System (ADS)

Li, Kebin; Qiu, Jinjun; Han, Guchang; Guo, Zaibing; Zheng, Yuankai; Wu, Yihong; Li, Jinshan

2005-01-01

The magnetic and transport properties of high quality synthetic spin-valves with the structure of Ta/NiFe/IrMn/CoFe/Ru/CoFe/NOL/CoFe/Cu/CoFe/CL were studied by using magnetoresistance measurements. Here Ti, Hf, and Al are used as the capping layer. It is found that both the thickness and materials properties of the capping layers can affect the interlayer coupling field. The interlayer coupling field oscillates weakly with respect to the thickness of the Ti and Hf capping layers. Extremely strong ferromagnetic coupling has been observed when the thickness of the Al capping layer is in a certain range where resonant exchange coupling takes place. The strength of the interlayer coupling is inversely proportional to the square of the thickness of the spacer. It is a typical characteristic of quantum size effect.
Ultrafast Interlayer Electron Transfer in Incommensurate Transition Metal Dichalcogenide Homobilayers.

PubMed

Li, Yuanyuan; Cui, Qiannan; Ceballos, Frank; Lane, Samuel D; Qi, Zeming; Zhao, Hui

2017-11-08

Two-dimensional materials, such as graphene, transition metal dichalcogenides, and phosphorene, can be used to construct van der Waals multilayer structures. This approach has shown potentials to produce new materials that combine novel properties of the participating individual layers. One key requirement for effectively harnessing emergent properties of these materials is electronic connection of the involved atomic layers through efficient interlayer charge or energy transfer. Recently, ultrafast charge transfer on a time scale shorter than 100 fs has been observed in several van der Waals bilayer heterostructures formed by two different materials. However, information on the transfer between two atomic layers of the same type is rare. Because these homobilayers are essential elements in constructing multilayer structures with desired optoelectronic properties, efficient interlayer transfer is highly desired. Here we show that electron transfer between two monolayers of MoSe 2 occurs on a picosecond time scale. Even faster transfer was observed in homobilayers of WS 2 and WSe 2 . The samples were fabricated by manually stacking two exfoliated monolayer flakes. By adding a graphene layer as a fast carrier recombination channel for one of the two monolayers, the transfer of the photoexcited carriers from the populated to the drained monolayers was time-resolved by femtosecond transient absorption measurements. The observed efficient interlayer carrier transfer indicates that such homobilayers can be used in van der Waals multilayers to enhance their optical absorption without significantly compromising the interlayer transport performance. Our results also provide valuable information for understanding interlayer charge transfer in heterostructures.
Interlayer Interactions in Twisted WSe 2/WS 2 Bilayer Heterojunctions: Synthesis, Characterization, and Modeling

DOE PAGES

Wang, Kai; Huang, Bing; Tian, Mengkun; ...

2016-06-16

Twisting adjacent layers in van der Waals solids can significantly alter their interlayer interactions for tunable optical and electronic properties. Here, we report theoretical calculations, fabrication, and detailed characterizations of WSe 2/WS 2 bilayer heterojunctions with various twist angles that were synthesized by artificially stacking monolayers of CVD-grown WS 2 and WSe 2. Density functional calculations predicted the formation of type-II heterojunctions for the stamped bilayers, with band structures that strongly depend on the interlayer twist angle. Raman spectroscopy reveals strong interlayer coupling with the appearance of a layer-number sensitive mode of WS 2 at 311 cm -1 in WSemore » 2/WS 2 bilayers. This strong interlayer coupling resulted in a 1~2 order of magnitude quenching of the photoluminescence. The broadening and shifts were observed in micro-absorption spectroscopy of WSe 2/WS 2 bilayers, which resulted in a net ~10% enhancement in integrated absorption strength across the visible spectrum with respect to the sum of the individual monolayer spectra. The observed 24 4 meV broadening of the WSe 2 A-exciton absorption band in the bilayers provided an estimate on the rate of charge transfer between the layers that ranged from 23 to 33 fs, and was supported by direct femtosecond pump-probe measurements. These results indicate that interlayer exciton formation and non-radiative decay channels dominate optical properties in these bilayers, which may be important for tunable future photovoltaics and detector applications.« less
Synthetic high-charge organomica: effect of the layer charge and alkyl chain length on the structure of the adsorbed surfactants.

PubMed

Pazos, M Carolina; Castro, Miguel A; Orta, M Mar; Pavón, Esperanza; Valencia Rios, Jesús S; Alba, María D

2012-05-15

A family of organomicas was synthesized using synthetic swelling micas with high layer charge (Na(n)Si(8-n)Al(n)Mg(6)F(4)O(20)·XH(2)O, where n = 2, 3, and 4) exchanged with dodecylammonium and octadecylammonium cations. The molecular arrangement of the surfactant was elucidated on the basis on XRD patterns and DTA. The ordering conformation of the surfactant molecules into the interlayer space of micas was investigated by (13)C, (27)Al, and (29)Si MAS NMR. The arrangement of alkylammonium ions in these high-charge synthetic micas depends on the combined effects of the layer charge of the mica and the chain length of the cation. In the organomicas with dodecylammonium, a transition from a parallel layer to a bilayer-paraffin arrangement is observed when the layer charge of the mica increases. However, when octadecylammonium is the interlayer cation, the molecular arrangement of the surfactant was found to follow the bilayer-paraffin model for all values of layer charge. The amount of ordered conformation all-trans is directly proportional of layer charge.
Coupling of Crystal Structure and Magnetism in the Layered, Ferromagnetic Insulator CrI 3

DOE PAGES

McGuire, Michael A.; Dixit, Hemant; Cooper, Valentino R.; ...

2014-12-23

Here, we examine the crystallographic and magnetic properties of single crystals of CrI 3, an easily cleavable, layered and insulating ferromagnet with a Curie temperature of 61 K. Our X-ray diffraction studies reveal a first-order crystallographic phase transition occurring near 210–220 K upon warming, with significant thermal hysteresis. The low-temperature structure is rhombohedral (Rmore » $$\\bar{3}$$, BiI 3-type) and the high-temperature structure is monoclinic (C2/m, AlCl 3-type). Evidence for coupling between the crystallographic and magnetic degrees of freedom in CrI 3 was found; we observed an anomaly in the interlayer spacing at the Curie temperature and an anomaly in the magnetic susceptibility at the structural transition. First-principles calculations reveal the importance of proper treatment of the long-ranged interlayer forces, and van der Waals density functional theory does an excellent job of predicting the crystal structures and their relative stability. Our calculations suggest that the ferromagnetic order found in the bulk material may persist into monolayer form, suggesting that CrI 3 and other chromium trihalides may be promising materials for spintronic and magnetoelectronic research.« less
Control of the third dimension in copper-based square-lattice antiferromagnets

DOE PAGES

Goddard, Paul A.; Singleton, John; Franke, Isabel; ...

2016-03-25

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF 2)(pyz) 2]ClO 4 [pyz = pyrazine], [CuL 2(pyz) 2](ClO 4) 2 [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz) 2] 2+ nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 Å, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed- and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymermore » Cu(pyz) 2(ClO 4) 2. We find that, within the limits of the experimental error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF 2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz) 2(ClO 4) 2, the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. Here, we discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.« less
Control of the third dimension in copper-based square-lattice antiferromagnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goddard, Paul A.; Singleton, John; Franke, Isabel

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF 2)(pyz) 2]ClO 4 [pyz = pyrazine], [CuL 2(pyz) 2](ClO 4) 2 [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz) 2] 2+ nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 Å, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed- and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymermore » Cu(pyz) 2(ClO 4) 2. We find that, within the limits of the experimental error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF 2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz) 2(ClO 4) 2, the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. Here, we discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.« less
Control of the third dimension in copper-based square-lattice antiferromagnets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goddard, Paul A.; Singleton, John; Franke, Isabel

Using a mixed-ligand synthetic scheme, we create a family of quasi-two-dimensional antiferromagnets, namely, [Cu(HF2)(pyz)(2)]ClO4 [pyz = pyrazine], [CuL2(pyz)(2)](ClO4)(2) [L = pyO = pyridine-N-oxide and 4-phpy-O = 4-phenylpyridine-N-oxide. These materials are shown to possess equivalent two-dimensional [Cu(pyz)(2)](2+) nearly square layers, but exhibit interlayer spacings that vary from 6.5713 to 16.777 angstrom, as dictated by the axial ligands. We present the structural and magnetic properties of this family as determined via x-ray diffraction, electron-spin resonance, pulsed-and quasistatic-field magnetometry and muon-spin rotation, and compare them to those of the prototypical two-dimensional magnetic polymer Cu(pyz)(2)(ClO4)(2). We find that, within the limits of the experimentalmore » error, the two-dimensional, intralayer exchange coupling in our family of materials remains largely unaffected by the axial ligand substitution, while the observed magnetic ordering temperature (1.91 K for the material with the HF2 axial ligand, 1.70 K for the pyO and 1.63 K for the 4-phpy-O) decreases slowly with increasing layer separation. Despite the structural motifs common to this family and Cu(pyz)(2)(ClO4)(2), the latter has significantly stronger two-dimensional exchange interactions and hence a higher ordering temperature. We discuss these results, as well as the mechanisms that might drive the long-range order in these materials, in terms of departures from the ideal S = 1/2 two-dimensional square-lattice Heisenberg antiferromagnet. In particular, we find that both spin-exchange anisotropy in the intralayer interaction and interlayer couplings (exchange, dipolar, or both) are needed to account for the observed ordering temperatures, with the intralayer anisotropy becoming more important as the layers are pulled further apart.« less
Use of nonwoven geotextiles as interlayers in concrete pavement systems.

DOT National Transportation Integrated Search

2009-05-01

This document describes the potential use of nonwoven geotextile materials as interlayers in concrete pavement systems, particularly unbonded overlays, in the United States. It briefly discusses Germanys experience, availability and cost of nonwov...
Supramolecule-Inspired Fabrication of Carbon Nanoparticles In Situ Anchored Graphene Nanosheets Material for High-Performance Supercapacitors.

PubMed

Huang, Yulan; Gao, Aimei; Song, Xiaona; Shu, Dong; Yi, Fenyun; Zhong, Jie; Zeng, Ronghua; Zhao, Shixu; Meng, Tao

2016-10-12

The remarkable electrochemical performance of graphene-based materials has drawn a tremendous amount of attention for their application in supercapacitors. Inspired by supramolecular chemistry, the supramolecular hydrogel is prepared by linking β-cyclodextrin to graphene oxide (GO). The carbon nanoparticles-anchored graphene nanosheets are then assembled after the hydrothermal reduction and carbonization of the supramolecular hydrogels; here, the β-cyclodextrin is carbonized to carbon nanoparticles that are uniformly anchored on the graphene nanosheets. Transmission electron microscopy reveals that carbon nanoparticles with several nanometers are uniformly anchored on both sides of graphene nanosheets, and X-ray diffraction spectra demonstrate that the interlayer spacing of graphene is enlarged due to the anchored nanoparticles among the graphene nanosheets. The as-prepared carbon nanoparticles-anchored graphene nanosheets material (C/r-GO-1:3) possesses a high specific capacitance (310.8 F g -1 , 0.5 A g -1 ), superior rate capability (242.5 F g -1 , 10 A g -1 ), and excellent cycle stability (almost 100% after 10 000 cycles, at the scan rate of 50 mV s -1 ). The outstanding electrochemical performance of the resulting C/r-GO-1:3 is mainly attributed to (i) the presence of the carbon nanoparticles, (ii) the enlarged interlayer spacing of the graphene sheets, and (iii) the accelerated ion transport rates toward the interior of the electrode material. The supramolecule-inspired approach for the synthesis of high-performance carbon nanoparticles-modified graphene sheets material is promising for future application in graphene-based energy storage devices.
Dopamine-Induced Formation of Ultrasmall Few-Layer MoS2 Homogeneously Embedded in N-Doped Carbon Framework for Enhanced Lithium-Ion Storage.

PubMed

Miao, Zhao-Hua; Wang, Pan-Pan; Xiao, Yu-Chen; Fang, Hai-Tao; Zhen, Liang; Xu, Cheng-Yan

2016-12-14

Molybdenum disulfide with a layered structure and high theoretical capacity is attracting extensive attention for high-performance lithium-ion batteries. In this study, a simple and scalable method by freeze-drying of (NH 4 ) 2 MoS 4 and dopamine mixed solutions along with subsequent calcination is developed to realize the self-assembly of hierarchical MoS 2 /carbon composite nanosheets via the effect of dopamine-induced morphology transformation, in which ultrasmall few-layer MoS 2 nanosheets were homogeneously embedded into a N-doped carbon framework (denoted as MoS 2 @N-CF). The embedded ultrasmall MoS 2 nanosheets (∼5 nm in length) in the composites consist of less than five layers with an expanded interlayer spacing of the (002) plane. When tested as anode materials for rechargeable Li-ion batteries, the obtained MoS 2 @N-CF nanosheets exhibit outstanding electrochemical performance in terms of high specific capacity (839.2 mAh g -1 at 1 A g -1 ), high initial Coulombic efficiency (85.2%), and superior rate performance (702.1 mAh g -1 at 4 A g -1 ). Such intriguing electrochemical performance was attributed to the synergistic effect of uniform dispersion of few-layer MoS 2 into the carbon framework, expanded interlayer spacing, and enhanced electronic conductivity in the unique hierarchical architecture. This work provides a simple and effective strategy for the uniform integration of MoS 2 with carbonaceous materials to significantly boost their electrochemical performance.
Total Scattering Analysis of Disordered Nanosheet Materials

NASA Astrophysics Data System (ADS)

Metz, Peter C.

Two dimensional materials are of increasing interest as building blocks for functional coatings, catalysts, and electrochemical devices. While increasingly sophisticated processing routes have been designed to obtain high-quality exfoliated nanosheets and controlled, self-assembled mesostructures, structural characterization of these materials remains challenging. This work presents a novel method of analyzing pair distribution function (PDF) data for disordered nanosheet ensembles, where supercell stacking models are used to infer atom correlations over as much as 50 A. Hierarchical models are used to reduce the parameter space of the refined model and help eliminate strongly correlated parameters. Three data sets for restacked nanosheet assemblies with stacking disorder are analyzed using these methods: simulated data for graphene-like layers, experimental data for 1 nm thick perovskite layers, and experimental data for highly defective delta-MnO2 layers. In each case, the sensitivity of the PDF to the real-space distribution of layer positions is demonstrated by exploring the fit residual as a function of stacking vectors. The refined models demonstrate that nanosheets tend towards local interlayer ordering, which is hypothesized to be driven by the electrostatic potential of the layer surfaces. Correctly accounting for interlayer atom correlations permits more accurate refinement of local structural details including local structure perturbations and defect site occupancies. In the delta-MnO2 nanosheet material, the new modeling approach identified 14% Mn vacancies while application of 3D periodic crystalline models to the < 7 A PDF region suggests a 25% vacancy concentration. In contrast, the perovskite nanosheet material is demonstrated to exhibit almost negligible structural relaxation in contrast with the bulk crystalline material from which it is derived.
Nonequilibrium Interlayer Transport in Pulsed Laser Deposition

NASA Astrophysics Data System (ADS)

Tischler, J. Z.; Eres, Gyula; Larson, B. C.; Rouleau, Christopher M.; Zschack, P.; Lowndes, Douglas H.

2006-06-01

We use time-resolved surface x-ray diffraction measurements with microsecond range resolution to study the growth kinetics of pulsed laser deposited SrTiO3. Time-dependent surface coverages corresponding to single laser shots were determined directly from crystal truncation rod intensity transients. Analysis of surface coverage evolution shows that extremely fast nonequilibrium interlayer transport, which occurs concurrently with the arrival of the laser plume, dominates the deposition process. A much smaller fraction of material, which is governed by the dwell time between successive laser shots, is transferred by slow, thermally driven interlayer transport processes.
Nickel oxide electrode interlayer in CH3 NH3 PbI3 perovskite/PCBM planar-heterojunction hybrid solar cells.

PubMed

Jeng, Jun-Yuan; Chen, Kuo-Cheng; Chiang, Tsung-Yu; Lin, Pei-Ying; Tsai, Tzung-Da; Chang, Yun-Chorng; Guo, Tzung-Fang; Chen, Peter; Wen, Ten-Chin; Hsu, Yao-Jane

2014-06-25

This study successfully demonstrates the application of inorganic p-type nickel oxide (NiOx ) as electrode interlayer for the fabrication of NiOx /CH3 NH3 PbI3 perovskite/PCBM PHJ hybrid solar cells with a respectable solar-to-electrical PCE of 7.8%. The better energy level alignment and improved wetting of the NiOx electrode interlayer significantly enhance the overall photovoltaic performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Conjugated Polymer Zwitterions: Efficient Interlayer Materials in Organic Electronics.

PubMed

Liu, Yao; Duzhko, Volodimyr V; Page, Zachariah A; Emrick, Todd; Russell, Thomas P

2016-11-15

Conjugated polymer zwitterions (CPZs) are neutral, hydrophilic, polymer semiconductors. The pendent zwitterions, viewed as side chain dipoles, impart solubility in polar solvents for solution processing, and open opportunities as interfacial components of optoelectronic devices, for example, between metal electrodes and organic semiconductor active layers. Such interlayers are crucial for defining the performance of organic electronic devices, e.g., field-effect transistors (OFETs), light-emitting diodes (OLEDs), and photovoltaics (OPVs), all of which consist of multilayer structures. The interlayers reduce the Schottky barrier height and thus improve charge injection in OFETs and OLEDs. In OPVs, the interlayers serve to increase the built-in electric potential difference (V bi ) across the active layer, ensuring efficient extraction of photogenerated charge carriers. In general, polar and even charged electronically active polymers have gained recognition for their ability to modify metal/semiconductor interfaces to the benefit of organic electronics. While conjugated polyelectrolytes (CPEs) as interlayer materials are well-documented, open questions remain about the role of mobile counterions in CPE-containing devices. CPZs possess the processing advantages of CPEs, but as neutral molecules lack any potential complications associated with counterions. The electronic implications of CPZs on metal electrodes stem from the orientation of the zwitterion dipole moment in close proximity to the metal surface, and the resultant surface-induced polarization. This generates an interfacial dipole (Δ) at the CPZ/metal interface, altering the work function of the electrode, as confirmed by ultraviolet photoelectron spectroscopy (UPS), and improving device performance. An ideal cathode interlayer would reduce electrode work function, have orthogonal processability to the active layer, exhibit good film forming properties (i.e., wettability/uniformity), prevent exciton quenching, possess optimal electron affinity that neither limits the work function reduction nor impedes the charge extraction, transport electrons selectively, and exhibit long-term stability. Our recent discoveries show that CPZs achieve many of these attributes, and are poised for further expansion and development in the interfacial science of organic electronics. This Account reviews a recent collaboration that began with the synthesis of CPZs and a study of their structural and electronic properties on metals, then extended to their application as interlayer materials for OPVs. We discuss CPZ structure-property relationships based on several material platforms, ranging from homopolymers to copolymers, and from materials with intrinsic p-type conjugated backbones to those with intrinsic n-type conjugated backbones. We discuss key components of such interlayers, including (i) the origin of work function reduction of CPZ interlayers on metals; (ii) the role of the frontier molecular orbital energy levels and their trade-offs in optimizing electronic and device properties; and (iii) the role of polymer conductivity type and the magnitude of charge carrier mobility. Our motivation is to present our prior use and current understanding of CPZs as interlayer materials in organic electronics, and describe outstanding issues and future potential directions.
Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS 2

DOE PAGES

Huang, Shengxi; Liang, Liangbo; Ling, Xi; ...

2016-02-21

A variety of van der Waals homo- and hetero- structures assembled by stamping monolayers together present optoelectronic properties suitable for diverse applications. Understanding the details of the interlayer stacking and resulting coupling is crucial for tuning these properties. Twisted bilayer transition metal dichalcogenides offer a great platform for developing a precise understanding of the structure/property relationship. Here, we study the low-frequency interlayer shear and breathing Raman modes (<50 cm-1) in twisted bilayer MoS 2 by Raman spectroscopy and first-principles modeling. Twisting introduces both rotational and translational shifts and significantly alters the interlayer stacking and coupling, leading to notable frequency andmore » intensity changes of low-frequency modes. The frequency variation can be up to 8 cm-1 and the intensity can vary by a factor of ~5 for twisting near 0 and 60 , where the stacking is a mixture of multiple high-symmetry stacking patterns and is thus especially sensitive to twisting. Moreover, for twisting angles between 20 and 40 , the interlayer coupling is nearly constant since the stacking results in mismatched lattices over the entire sample. It follows that the Raman signature is relatively uniform. Interestingly, unlike the breathing mode, the shear mode is extremely sensitive to twisting: it disappears between 20 and 40 as its frequency drops to almost zero due to the stacking-induced mismatch. Note that for some samples, multiple breathing mode peaks appear, indicating non-uniform coupling across the interface. In contrast to the low-frequency interlayer modes, high-frequency intralayer Raman modes are much less sensitive to interlayer stacking and coupling, showing negligible changes upon twisting. Our research demonstrates the effectiveness of low-frequency Raman modes for probing the interfacial coupling and environment of twisted bilayer MoS2, and potentially other two-dimensional materials and heterostructures.« less
In vitro evaluation of diamond-like carbon coatings with a Si/SiC x interlayer on surgical NiTi alloy

NASA Astrophysics Data System (ADS)

Liu, C. L.; Chu, Paul K.; Yang, D. Z.

2007-04-01

Diamond-like carbon (DLC) coatings were produced with a Si/SiCx interlayer by a hybrid plasma immersion ion implantation and deposition process to improve the adhesion between the carbon layer and surgical NiTi alloy substrate. The structure, mechanical properties, corrosion resistance and biocompatibility of the coatings were evaluated in vitro by Raman spectroscopy, pin-on-disk tests, potentiodynamic polarization tests and simulated fluid immersion tests. The DLC coatings with a Si/SiCx interlayer of a suitable thickness have better adhesion, lower friction coefficients and enhanced corrosion resistance. In the simulated body fluid tests, the coatings exhibit effective corrosion protection and good biocompatibility as indicated by PC12 cell cultures. DLC films fabricated on a Si/SiCx interlayer have high potential as protective coatings for biomedical NiTi materials.
Effect of Pd Interlayer on Electrochemical Properties of ENIG Surface Finish in 3.5 wt.% NaCl Solution

NASA Astrophysics Data System (ADS)

Nam, N. D.; Bui, Q. V.; Nhan, H. T.; Phuong, D. V.; Bian, M. Z.

2014-09-01

The corrosion resistance of a multilayered (NiP-Pd-Au) coating with various thicknesses of palladium (Pd) interlayer deposited on copper by an electroless method was investigated using electrochemical techniques including potentiodynamic polarization and electrochemical impedance spectroscopy. In addition, the surface finish was examined by x-ray diffraction analysis and scanning electron microscopy, and the contact angle of the liquid-solid interface was recorded. The corrosion resistance of the copper substrate was considerably improved by Pd interlayer addition. Increase of the thickness of the Pd interlayer enhanced the performance of the Cu-NiP-Pd-Au coating due to low porosity, high protective efficiency, high charge-transfer resistance, and contact angle. These are attributed to the diffusion of layers in the Cu-NiP-Pd-Au coating acting as a physical barrier layer, leading to the protection provided by the coating.
Aminopropyl-modified magnesium-phyllosilicates: layered solids with tailored interlayer access and reactivity.

PubMed

Ferreira, Ricardo B; da Silva, César R; Pastore, Heloise O

2008-12-16

Despite its wide application, the synthesis of aminopropyl-modified magnesium-phyllosilicates was known only in the case where every silicon atom bore an organic pending group. This paper shows the preparation of aminopropyl-modified talc where tailored amounts of silicon atoms are bound to an aminopropyl group. The decrease in the concentration of the organoamino group leaves a proportional concentration of interlayer SiOH groups that can be used to react with other silylation agents. The amino group reacts with CO2, forming a carbamate functionality; it seems that the presence of this group avoids delamination in water as performed for the parent compound. Bearing in mind that the aminopropyl group can be changed by other groups, the present synthesis strategy demonstrates ways to produce solids with controlled surface properties with interlayer amino and SiOH groups in variable concentrations, allowing formation of several other interlayer functionalities.

Correlated lateral phase separations in stacks of lipid membranes

NASA Astrophysics Data System (ADS)

Hoshino, Takuma; Komura, Shigeyuki; Andelman, David

2015-12-01

Motivated by the experimental study of Tayebi et al. [Nat. Mater. 11, 1074 (2012)] on phase separation of stacked multi-component lipid bilayers, we propose a model composed of stacked two-dimensional Ising spins. We study both its static and dynamical features using Monte Carlo simulations with Kawasaki spin exchange dynamics that conserves the order parameter. We show that at thermodynamical equilibrium, due to strong inter-layer correlations, the system forms a continuous columnar structure for any finite interaction across adjacent layers. Furthermore, the phase separation shows a faster dynamics as the inter-layer interaction is increased. This temporal behavior is mainly due to an effective deeper temperature quench because of the larger value of the critical temperature, Tc, for larger inter-layer interaction. When the temperature ratio, T/Tc, is kept fixed, the temporal growth exponent does not increase and even slightly decreases as a function of the increased inter-layer interaction.
Au/n-InP Schottky diodes using an Al2O3 interfacial layer grown by atomic layer deposition

NASA Astrophysics Data System (ADS)

Kim, Hogyoung; Kim, Min Soo; Yoon, Seung Yu; Choi, Byung Joon

2017-02-01

We investigated the effect of an Al2O3 interfacial layer grown by atomic layer deposition on the electrical properties of Au Schottky contacts to n-type InP. Considering barrier inhomogeneity, modified Richardson plots yielded a Richardson constant of 8.4 and 7.5 Acm-2K-2, respectively, for the sample with and without the Al2O3 interlayer (theoretical value of 9.4 Acm-2K-2 for n-type InP). The dominant reverse current flow for the sample with an Al2O3 interlayer was found to be Poole-Frenkel emission. From capacitance-voltage measurements, it was observed that the capacitance for the sample without the Al2O3 interlayer was frequency dependent. Sputter-induced defects as well as structural defects were passivated effectively with an Al2O3 interlayer.
Effect of Mg interlayer on perpendicular magnetic anisotropy of CoFeB films in MgO/Mg/CoFeB/Ta structure

NASA Astrophysics Data System (ADS)

Ma, Q. L.; Iihama, S.; Kubota, T.; Zhang, X. M.; Mizukami, S.; Ando, Y.; Miyazaki, T.

2012-09-01

The effects of Mg metallic interlayer on the magnetic properties of thin CoFeB films in MgO/Mg (tMg)/CoFeB (1.2 nm)/Ta structures were studied in this letter. Our experimental result shows that the CoFeB film exhibits perpendicular magnetic anisotropy (PMA) when the CoFeB and MgO layers are separated by a metallic Mg layer with a maximum thickness of 0.8 nm. The origin of PMA was discussed by considering the preferential transmission of the Δ1 symmetry preserved by the Mg interlayer in crystallized MgO/Mg/CoFeB/Ta. In addition, the thin Mg interlayer also contributes to enhancing the thermal stability and reducing the effective damping constant and coercivity of the CoFeB film.
Symmetries and synchronization in multilayer random networks

NASA Astrophysics Data System (ADS)

Saa, Alberto

2018-04-01

In the light of the recently proposed scenario of asymmetry-induced synchronization (AISync), in which dynamical uniformity and consensus in a distributed system would demand certain asymmetries in the underlying network, we investigate here the influence of some regularities in the interlayer connection patterns on the synchronization properties of multilayer random networks. More specifically, by considering a Stuart-Landau model of complex oscillators with random frequencies, we report for multilayer networks a dynamical behavior that could be also classified as a manifestation of AISync. We show, namely, that the presence of certain symmetries in the interlayer connection pattern tends to diminish the synchronization capability of the whole network or, in other words, asymmetries in the interlayer connections would enhance synchronization in such structured networks. Our results might help the understanding not only of the AISync mechanism itself but also its possible role in the determination of the interlayer connection pattern of multilayer and other structured networks with optimal synchronization properties.
PNR studies of spin-flop and spin-flip processes in magnetic multilayer, NiFeCo/Cu system

NASA Astrophysics Data System (ADS)

Ambaye, Hailemariam; Sato, Hideo; Mankey, Gary; Lauter, Valeria; Goyette, Richard

2010-03-01

Early GMR devices relied on antiferromagnetic interlayer coupling to work and it was shown that the interlayer coupling is in fact oscillatory, with both ferromagnetic and antiferromagnetic interlayer exchange depending on the thickness of the nonmagnetic layer [1,2]. Different competing interactions such as magnetic anisotropy and interlayer afm coupling occur in multilayer systems. Distinguishing the individual contributions is one of the major challenges in the study of multilayered systems. We used polarized neutron reflectivity with full polarization analysis to understand how the magnetization is distributed through the system and how deep the flipping process of the magnetization goes into the system. The easy axis field dependence of occurrence of spin-flop and spin-flip events in the system will be reported. [4pt] [1] S. S. P. Parkin, Phys. Rev. Lett. 71, 1641 (1993).[0pt] [2] D. Elefant, et al., Phys. Rev. B 77, 014426 (2008).
Diffusion Bonding of Silicon Carbide for MEMS-LDI Applications

NASA Technical Reports Server (NTRS)

Halbig, Michael C.; Singh, Mrityunjay; Shpargel, Tarah P.; Kiser, J. Douglas

2007-01-01

A robust joining approach is critically needed for a Micro-Electro-Mechanical Systems-Lean Direct Injector (MEMS-LDI) application which requires leak free joints with high temperature mechanical capability. Diffusion bonding is well suited for the MEMS-LDI application. Diffusion bonds were fabricated using titanium interlayers between silicon carbide substrates during hot pressing. The interlayers consisted of either alloyed titanium foil or physically vapor deposited (PVD) titanium coatings. Microscopy shows that well adhered, crack free diffusion bonds are formed under optimal conditions. Under less than optimal conditions, microcracks are present in the bond layer due to the formation of intermetallic phases. Electron microprobe analysis was used to identify the reaction formed phases in the diffusion bond. Various compatibility issues among the phases in the interlayer and substrate are discussed. Also, the effects of temperature, pressure, time, silicon carbide substrate type, and type of titanium interlayer and thickness on the microstructure and composition of joints are discussed.
Superconducting composite with multilayer patterns and multiple buffer layers

DOEpatents

Wu, X.D.; Muenchausen, R.E.

1993-10-12

An article of manufacture is described including a substrate, a patterned interlayer of a material selected from the group consisting of magnesium oxide, barium-titanium oxide or barium-zirconium oxide, the patterned interlayer material overcoated with a secondary interlayer material of yttria-stabilized zirconia or magnesium-aluminum oxide, upon the surface of the substrate whereby an intermediate article with an exposed surface of both the overcoated patterned interlayer and the substrate is formed, a coating of a buffer layer selected from the group consisting of cerium oxide, yttrium oxide, curium oxide, dysprosium oxide, erbium oxide, europium oxide, iron oxide, gadolinium oxide, holmium oxide, indium oxide, lanthanum oxide, manganese oxide, lutetium oxide, neodymium oxide, praseodymium oxide, plutonium oxide, samarium oxide, terbium oxide, thallium oxide, thulium oxide, yttrium oxide and ytterbium oxide over the entire exposed surface of the intermediate article, and, a ceramic superconductor. 5 figures.
Very high S-band microwave absorption of carbon nanotube buckypapers with Mn nanoparticle interlayers

NASA Astrophysics Data System (ADS)

Lu, Shaowei; Bai, Yaoyao; Wang, Jijie; Zhang, Lu; Tian, Caijiao; Ma, Keming; Wang, Xiaoqiang

2018-03-01

Flexible and high-performance electromagnetic absorbing materials of multi-walled carbon nanotube (MWCNT) buckypapers with Mn nanoparticles (NPSs) interlayer were fabricated via monodisperse solutions through layer by layer vacuum filtration method. The morphology and element composition of buckypapers were characterized by scanning electron microscopy, energy dispersive spectrometer, and X-ray diffraction. The formation of flexible MWCNT buckypapers with Mn NPS (0-30 wt. %) interlayer was attributed to nanostructure and morphology of the samples. When the blended Mn NPS content in buckypapers is 20 wt. %, there are evidently two larger absorption peaks (-13.2 dB at 3.41 GHz, -15.6 dB at 3.52 GHz) of the buckypaper with an absorbing thickness of 0.1 mm. The fundamental microwave absorption mechanism of the buckypapers is discussed. This work opens a new pathway towards tuning microwave absorbers performance and this method can be extended to exploit other excellent microwave absorbers with interlayer.
Effects of complexation between organic matter (OM) and clay mineral on OM pyrolysis

NASA Astrophysics Data System (ADS)

Bu, Hongling; Yuan, Peng; Liu, Hongmei; Liu, Dong; Liu, Jinzhong; He, Hongping; Zhou, Junming; Song, Hongzhe; Li, Zhaohui

2017-09-01

The stability and persistence of organic matter (OM) in source rocks are of great significance for hydrocarbon generation and the global carbon cycle. Clay-OM associations commonly occur in sedimentation and diagenesis processes and can influence the pyrolytic behaviors of OM. In this study, clay-OM complexes, i.e., interlayer clay-OM complexes and clay-OM mixture, were prepared and exposed to high-pressure pyrolysis conditions in confined gold capsule reactors to assess variations in OM pyrolysis products in the presence of clay minerals. Three model organic compounds, octadecanoic acid (OA), octadecy trimethyl ammonium bromide (OTAB), and octadecylamine (ODA), were employed and montmorillonite (Mt) was selected as the representative clay mineral. The solid acidity of Mt plays a key role in affecting the amount and composition of the pyrolysis gases generated by the clay-OM complexes. The Brønsted acid sites significantly promote the cracking of hydrocarbons through a carbocation mechanism and the isomerization of normal hydrocarbons. The Lewis acid sites are primarily involved in the decarboxylation reaction during pyrolysis and are responsible for CO2 generation. Mt exhibits either a catalysis effect or pyrolysis-inhibiting during pyrolysis of a given OM depending on the nature of the model organic compound and the nature of the clay-OM complexation. The amounts of C1-5 hydrocarbons and CO2 that are released from the Mt-OA and Mt-ODA complexes were higher than those of the parent OA and ODA, respectively, indicating a catalysis effect of Mt. In contrast, the amount of C1-5 hydrocarbons produced from the pyrolysis of Mt-OTAB complexes was lower than that of OTAB, which we attribute to an inhibiting effect of Mt. This pyrolysis-inhibiting effect works through the Hoffmann elimination that is promoted by the catalysis of the Brønsted acid sites of Mt, therefore releasing smaller amounts of gas hydrocarbons than the nucleophilic reaction that is induced by the halide ions in OTAB. In particular, the interlayer space of Mt acts as an 'amplifier' that magnifies the above-mentioned catalysis or pyrolysis-inhibiting effect, due to the greater number of Brønsted acid sites with high acidity in the interlayer space. These findings are potentially important for understanding the storage and transfer mechanisms of natural OM in sedimentation and diagenesis processes.
Electroluminescence from the InGaN/GaN Superlattices Interlayer of Yellow LEDs with Large V-Pits Grown on Si (111)

NASA Astrophysics Data System (ADS)

Tao, Xi-xia; Mo, Chun-lan; Liu, Jun-lin; Zhang, Jian-li; Wang, Xiao-lan; Wu, Xiao-ming; Xu, Long-quan; Ding, Jie; Wang, Guang-xu; Jiang, Feng-yi

2018-05-01

Not Available Supported by the National Key Research and Development Program of China under Grant Nos 2016YFB0400600 and 2016YFB0400601, the National Natural Science Foundation of China under Grant Nos 61334001, 61604066, 21405076, 11604137, 11674147, 51602141 and 61704069, and the Key Research and Development Program of Jiangxi Province of China under Grant No 20165ABC28007.
Tens of micron-sized unilamellar nanosheets of Y/Eu layered rare-earth hydroxide: efficient exfoliation via fast anion exchange and their self-assembly into oriented oxide film with enhanced photoluminescence

NASA Astrophysics Data System (ADS)

Zhu, Qi; Li, Ji-Guang; Li, Xiaodong; Sun, Xudong; Qi, Yang; Zhu, Miaoyong; Sakka, Yoshio

2014-02-01

Layered rare-earth hydroxide (LRH) crystals of (Y0.95Eu0.05)2(OH)5NO3·nH2O with a lateral size of ˜ 300 μm and a thickness of ˜ 9 μm have been synthesized via a hydrothermal reaction of mixed nitrate solutions in the presence of mineralizer NH4NO3 at 200 °C for 24 h. LRH exhibits the ability to undergo intercalation and anion exchange with DS- (C12H25OSO3-) via hydrothermal treatment. Compared with traditional anion exchange at room temperature, hydrothermal processing not only shortens the anion exchange time from 720 to 24 h but also increases the basal spacing. The arrangements of DS- in the interlayer of LRH are significantly affected by the DS- concentration and reaction temperature, and the basal spacing of the LRH-DS sample in the crystal edge is assumed to be larger than that in the crystal center. A higher DS- concentration and reaction temperature both induce more intercalation of DS- anions into the interlayer gallery, thus yielding a larger basal spacing. Unilamellar nanosheets with a lateral size of ⩾60 μm and a thickness of ˜ 1.6 nm can be obtained by delaminating LRH-DS in formamide. The resultant unilamellar nanosheets are single crystalline. Transparent (Y0.95Eu0.05)2O3 phosphor films with a uniform [111] orientation and a layer thickness of ˜ 90 nm were constructed with the nanosheets as building blocks via spin-coating, followed by proper annealing. The oriented oxide film exhibits a strong red emission at 614 nm (the 5D0-7F2 transition of Eu3+), whose intensity is ˜ 2 times that of the powder form owing to the significant exposure of the (222) facets.
INTERLAYER MICROMECHANICS OF THE AORTIC HEART VALVE LEAFLET

PubMed Central

Buchanan, Rachel M.; Sacks, Michael S.

2014-01-01

While the mechanical behaviors of the fibrosa and ventricularis layers of the aortic valve (AV) leaflet are understood, little information exists on their mechanical interactions mediated by the GAG-rich central spongiosa layer. Parametric simulations of the interlayer interactions of the AV leaflets in flexure utilized a tri-layered finite element (FE) model of circumferentially oriented tissue sections to investigate inter-layer sliding hypothesized to occur. Simulation results indicated that the leaflet tissue functions as a tightly bonded structure when the spongiosa effective modulus was at least 25% that of the fibrosa and ventricularis layers. Novel studies that directly measured transmural strain in flexure of AV leaflet tissue specimens validated these findings. Interestingly, a smooth transmural strain distribution indicated that the layers of the leaflet indeed act as a bonded unit, consistent with our previous observations (Stella and Sacks, 2007) of a large number of transverse collagen fibers interconnecting the fibrosa and ventricularis layers. Additionally, when the tri-layered FE model was refined to match the transmural deformations, a layer-specific bimodular material model (resulting in four total moduli) accurately matched the transmural strain and moment-curvature relations simultaneously. Collectively, these results provide evidence, contrary to previous assumptions, that the valve layers function as a bonded structure in the low-strain flexure deformation mode. Most likely, this results directly from the transverse collagen fibers that bind the layers together to disable physical sliding and maintain layer residual stresses. Further, the spongiosa may function as a general dampening layer while the AV leaflets deforms as a homogenous structure despite its heterogeneous architecture. PMID:24292631
Performing Mineral Hydration Experiments in the CheMin Diffractometer on Mars

NASA Technical Reports Server (NTRS)

Vaniman, D. T.; Yen, A. S.; Rampe, E. B.; Blake, D. F.; Chipera, S. J.; Morookian, J. M.; Ming, D. W.; Bristow, T. F.; Morris, R. V.; Geller, R.;

2016-01-01

Laboratory work is the cornerstone of experimental planetary geochemistry, mineralogy, and petrology, but much is to be gained by "experiments" while on a planet surface. Earth-bound experiments are often limited in ability to control multiple conditions relevant to planetary bodies (e.g. cycles in temperature and vapor pressure of water), but observations on-planet provide a unique opportunity where conditions are native to the planet and those affected by sampling and analysis can be constrained. The CheMin XRD instrument on Mars Science Laboratory has been able to test mineral hydration in samples held for up to 300 Mars days (sols). Clay minerals sampled at Yellowknife Bay early in the mission had both collapsed (10 Å) and expanded (13.2 Å) basal spacing. Collapsed interlayers were expected, but larger spacing was not; it was uncertain whether larger basal spacing would collapse on prolonged exposure to warmer conditions inside CheMin. Observation over several hundred sols showed no collapse, with the conclusion that expanded interlayer spacing was due to partial intercalation by metal-hydroxyl groups that resist dehydration. More recently, a sample of the Murray Formation, Oudam, provided the first XRD detection of gypsum and a chance to observe gypsum stability. Laboratory work suggests gypsum should be stable at Mars surface conditions, and indeed gypsum has been observed from orbit at higher latitudes and in thick veins at Yellowknife Bay by Mastcam reflectance spectra. Laboratory experiments have shown that on dehydration the gypsum would not become X-ray amorphous but would rather transform to a water-deficient bassanite structure. Over a period of 37 sols, it was observed that the Oudam sample in CheMin transformed from an assemblage of gypsum+anhydrite, to gypsum+bassanite+anhydrite, and finally to bassanite+anhydrite. Mg-sulfates were also anticipated but have not been observed in CheMin despite chemical evidence for their presence. Unlike gypsum, hydrated Mg-sulfates can transition to an X-ray amorphous form. Crystalline Mg-sulfates are expected higher in the section on Mount Sharp, where it should be possible to determine whether they persist or are destabilized after sampling, providing further insight into hydrous mineral stability at Mars near-equatorial conditions.

Power and Thermal Technologies for Air and Space. Delivery Order 0003: Development of High-Performance Solid Oxide Fuel Cell (SOFC) Technology for Remote Base Applications

DTIC Science & Technology

2007-08-01

In recent years, however, anode supported electrode conformations with thin film electrolytes have been heavily explored because they are capable ...further clarify relationship between interlayer morphology and cell performance will be a subject of a future study. Figure 2. SEM Images of SOFC...CPE B1B CPE B2B RB4B CPE B3B R1 R2 10 and R3, which also exhibited a constant slope over the test range, averaged 0.1 +/- 0.02 and 0.9 +/- 0.01
Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides

NASA Astrophysics Data System (ADS)

Lee, Hosik; Ohno, Takahisa

2013-03-01

For better efficiency as photocatalysts, N-doping for visible light reactivity has been intensively studied in Lamellar niobic and titanic solid acids (HNb3O8, H2Ti4O9), and its microscopic structures have been debated in this decade. We calculate the layered solid acids' structures and bandgaps. Bandgap reduction by carbon nitride adsorption in interlayer space is observed computationally. It originates from localized nitrogen states which form delocalized top-valence states by hybridizing with the host oxygen states and can contribute to photo-current.
Tunable Graphitic Carbon Nano-Onions Development in Carbon Nanofibers for Multivalent Energy Storage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwarz, Haiqing L.

2016-01-01

We developed a novel porous graphitic carbon nanofiber material using a synthesis strategy combining electrospinning and catalytic graphitization. RF hydrogel was used as carbon precursors, transition metal ions were successfully introduced into the carbon matrix by binding to the carboxylate groups of a resorcinol derivative. Transition metal particles were homogeneously distributed throughout the carbon matrix, which are used as in-situ catalysts to produce graphitic fullerene-like nanostructures surrounding the metals. The success design of graphitic carbons with enlarged interlayer spacing will enable the multivalent ion intercalation for the development of multivalent rechargeable batteries.
Incorporation of tramadol drug into Li-fluorohectorite clay: A preliminary study of a medical nanofluid

NASA Astrophysics Data System (ADS)

Valdés, L.; Hernández, D.; de Ménorval, L. Ch.; Pérez, I.; Altshuler, E.; Fossum, J. O.; Rivera, A.

2016-07-01

During the last years, clays have been increasingly explored as hosts for drugs. In the present paper, we have been able to host the non-steroidal anti-inflammatory drug, Tramadol, into the clay Li-fluorohectorite (Li-Fh). We preliminary evaluate its incorporation by means of UV spectroscopy and X ray diffraction. Our results indicate that the clay hosts the drug molecule in its interlayer space. We suggest a set of parameters to guarantee an efficient incorporation process. Future studies will concentrate on the release of the drug from the clay nanofluid.
An evaluation of interlayer stress absorbing composite (ISAC) reflective crack relief system

DOT National Transportation Integrated Search

2005-03-01

Reflective cracking of bituminous concrete overlays has long been a problem in pavement rehabilitation. Various types of interlayer systems and fabrics have been used to eliminate or slow the development of reflective cracks. These methods and produc...
Assessment of asphalt interlayer designed on jointed concrete : [tech transfer summary].

DOT National Transportation Integrated Search

2014-11-01

Based on the substantial reduction in reflective cracking and only marginal : cost increases from using the interlayer on this research project, it is : recommended that future hot mix asphalt (HMA) overlay projects in Iowa : consider using the crack...
Pavement service life extension due to asphalt surface treatment interlayer : research project capsule.

DOT National Transportation Integrated Search

2016-07-01

The Louisiana Department of Transportation and Development (DOTD) has been : using asphalt surface treatment (AST) interlayers over soil cement base courses : as a means to mitigate shrinkage cracks from reflecting through the asphaltic : concrete (A...

Low resistance contacts for shallow junction semiconductors

NASA Technical Reports Server (NTRS)

Fatemi, Navid S. (Inventor); Weizer, Victor G. (Inventor)

1994-01-01

A method of enhancing the specific contact resistivity in InP semiconductor devices and improved devices produced thereby are disclosed. Low resistivity values are obtained by using gold ohmic contacts that contain small amounts of gallium or indium and by depositing a thin gold phosphide interlayer between the surface of the InP device and the ohmic contact. When both the thin interlayer and the gold-gallium or gold-indium contact metallizations are used, ultra low specific contact resistivities are achieved. Thermal stability with good contact resistivity is achieved by depositing a layer of refractory metal over the gold phosphide interlayer.
Two-Dimensional Jeff=1 /2 Antiferromagnetic Insulator Unraveled from Interlayer Exchange Coupling in Artificial Perovskite Iridate Superlattices

NASA Astrophysics Data System (ADS)

Hao, Lin; Meyers, D.; Frederick, Clayton; Fabbris, Gilberto; Yang, Junyi; Traynor, Nathan; Horak, Lukas; Kriegner, Dominik; Choi, Yongseong; Kim, Jong-Woo; Haskel, Daniel; Ryan, Phil J.; Dean, M. P. M.; Liu, Jian

2017-07-01

We report an experimental investigation of the two-dimensional Jeff=1 /2 antiferromagnetic Mott insulator by varying the interlayer exchange coupling in [(SrIrO3)1 , (SrTiO3)m ] (m =1 , 2 and 3) superlattices. Although all samples exhibited an insulating ground state with long-range magnetic order, temperature-dependent resistivity measurements showed a stronger insulating behavior in the m =2 and m =3 samples than the m =1 sample which displayed a clear kink at the magnetic transition. This difference indicates that the blocking effect of the excessive SrTiO3 layer enhances the effective electron-electron correlation and strengthens the Mott phase. The significant reduction of the Néel temperature from 150 K for m =1 to 40 K for m =2 demonstrates that the long-range order stability in the former is boosted by a substantial interlayer exchange coupling. Resonant x-ray magnetic scattering revealed that the interlayer exchange coupling has a switchable sign, depending on the SrTiO3 layer number m , for maintaining canting-induced weak ferromagnetism. The nearly unaltered transition temperature between the m =2 and the m =3 demonstrated that we have realized a two-dimensional antiferromagnet at finite temperatures with diminishing interlayer exchange coupling.
Web-structured graphitic carbon fiber felt as an interlayer for rechargeable lithium-sulfur batteries with highly improved cycling performance

NASA Astrophysics Data System (ADS)

Lee, Dong Kyu; Ahn, Chi Won; Jeon, Hwan-Jin

2017-08-01

Graphitic carbon fiber felt (GCFF) with a crystalline graphitic carbon structure was facilely prepared by a combination of electrospinning and graphitization (2800 °C heat treatment) and was used as an interlayer between the cathode and separator in Li-S batteries. This GCFF interlayer trapped the polysulfides on the cathode side and increased the utilization of sulfur by suppressing the shuttle phenomenon. Also, the GCFF was shown to be able to act as an upper current collector to reduce the charge-transfer resistance owing to the high crystallinity of the graphitic carbon fibers. The sulfur cathode with the GCFF interlayer showed a high specific initial discharge capacity of 1280.14 mAh g-1 and excellent cycling stability (1004.62 mAh g-1 after 100 cycles) at 0.2 C. Also, an image of the glass fiber (GF) separator on the anode side confirmed the presence of an SEI after 200 cycles, which apparently resulted from stable Li deposition on the Li metal because of the low or medium concentration of sulfur in the electrolyte solution. Our observations should contribute to elucidating the key features of complex three-dimensional carbon fabrics with crystalline graphitic structures that allow them, when inserted as interlayers, to markedly improve the performance of rechargeable batteries.
Effect of SiC interlayer between Ti6Al4V alloy and hydroxyapatite films.

PubMed

Azem, Funda Ak; Birlik, Isil; Braic, Viorel; Toparli, Mustafa; Celik, Erdal; Parau, Anca; Kiss, Adrian; Titorencu, Irina; Vladescu, Alina

2015-04-01

Bioactive coatings are frequently used to improve the osseointegration of the metallic implants used in dentistry or orthopaedics. Among different types of bioactive coatings, hydroxyapatite (Ca10(PO4)6(OH)2) is one of the most extensively used due to its chemical similarities to the components of bones and teeth. In this article, production and characterization of hydroxyapatite films deposited on Ti6Al4V alloy prepared by magnetron sputtering were reported. Besides, SiC was deposited on substrate surface to study the interlayer effect. Obtained coatings were annealed at 600 °C for 30 and 120 min in a mixed atmosphere of N2 + H2O vapours with the heating rate of 12 °C min(-1). The effects of SiC interlayer and heat treatment parameters on the structural, mechanical and corrosion properties were investigated. After heat treatment process, the crystalline hydroxyapatite was obtained. Additionally, cell viability tests were performed. The results show that the presence of the SiC interlayer contributes a decrease in surface roughness and improves the mechanical properties and corrosion performance of the hydroxyapatite coatings. Biological properties were not affected by the presence of the SiC interlayer. © IMechE 2015.
NiCrNx interlayer thickness dependence of spectral performance and environmental durability of protected-silver mirrors

NASA Astrophysics Data System (ADS)

Xu, Xu; Li, Bincheng; He, Wenyan; Wang, Changjun; Wei, Ming

2018-04-01

Gemini-style protected-silver mirror (Sub / NiCrNx / Ag / NiCrNx / SiNx / Air) is a suitable choice for optical instruments requiring both long-term environmental durability and high broadband reflectance. Three Gemini-style protected-silver mirrors with NiCrNx interlayer thicknesses between 0.1 and 0.6 nm were prepared by magnetron sputtering, and the dependences of spectral properties and environmental durability of these protected-silver mirrors on the thickness of NiCrNx interlayer between the silver layer and SiNx layer were investigated in-depth. The reflectance, transmittance and total scattering loss measurements, optical microscope, and scanning electron microscope imaging were employed to characterize the spectral properties and surface morphology, and accelerated environmental tests, including humidity test and salt fog test, were applied to investigate the environmental durability. The experimental results showed that both optical and corrosion-resistant properties of protected-silver mirrors were NiCrNx interlayer thickness dependent, and an optimum NiCrNx interlayer thickness should be ˜0.3 nm for Gemini-style protected-silver mirrors to have reasonably both high reflectance in a broadband spectral range from visible to far infrared and good corrosion resistance for long-lifetime applications in harsh environments.
Interlayer Water Regulates the Bio-nano Interface of a β-sheet Protein stacking on Graphene

PubMed Central

Lv, Wenping; Xu, Guiju; Zhang, Hongyan; Li, Xin; Liu, Shengju; Niu, Huan; Xu, Dongsheng; Wu, Ren'an

2015-01-01

Using molecular dynamics simulations, we investigated an integrated bio-nano interface consisting of a β-sheet protein stacked onto graphene. We found that the stacking assembly of the model protein on graphene could be controlled by water molecules. The interlayer water filled within interstices of the bio-nano interface could suppress the molecular vibration of surface groups on protein, and could impair the CH···π interaction driving the attraction of the protein and graphene. The intermolecular coupling of interlayer water would be relaxed by the relative motion of protein upon graphene due to the interaction between water and protein surface. This effect reduced the hindrance of the interlayer water against the assembly of protein on graphene, resulting an appropriate adsorption status of protein on graphene with a deep free energy trap. Thereby, the confinement and the relative sliding between protein and graphene, the coupling of protein and water, and the interaction between graphene and water all have involved in the modulation of behaviors of water molecules within the bio-nano interface, governing the hindrance of interlayer water against the protein assembly on hydrophobic graphene. These results provide a deep insight into the fundamental mechanism of protein adsorption onto graphene surface in water. PMID:25557857
Interlayer water regulates the bio-nano interface of a β-sheet protein stacking on graphene.

PubMed

Lv, Wenping; Xu, Guiju; Zhang, Hongyan; Li, Xin; Liu, Shengju; Niu, Huan; Xu, Dongsheng; Wu, Ren'an

2015-01-05

Using molecular dynamics simulations, we investigated an integrated bio-nano interface consisting of a β-sheet protein stacked onto graphene. We found that the stacking assembly of the model protein on graphene could be controlled by water molecules. The interlayer water filled within interstices of the bio-nano interface could suppress the molecular vibration of surface groups on protein, and could impair the CH···π interaction driving the attraction of the protein and graphene. The intermolecular coupling of interlayer water would be relaxed by the relative motion of protein upon graphene due to the interaction between water and protein surface. This effect reduced the hindrance of the interlayer water against the assembly of protein on graphene, resulting an appropriate adsorption status of protein on graphene with a deep free energy trap. Thereby, the confinement and the relative sliding between protein and graphene, the coupling of protein and water, and the interaction between graphene and water all have involved in the modulation of behaviors of water molecules within the bio-nano interface, governing the hindrance of interlayer water against the protein assembly on hydrophobic graphene. These results provide a deep insight into the fundamental mechanism of protein adsorption onto graphene surface in water.
Effect of integrating straw into agricultural soils on soil infiltration and evaporation.

PubMed

Cao, Jiansheng; Liu, Changming; Zhang, Wanjun; Guo, Yunlong

2012-01-01

Soil water movement is a critical consideration for crop yield in straw-integrated fields. This study used an indoor soil column experiment to determine soil infiltration and evaporation characteristics in three forms of direct straw-integrated soils (straw mulching, straw mixing and straw inter-layering). Straw mulching is covering the land surface with straw. Straw mixing is mixing straw with the top 10 cm surface soil. Then straw inter-layering is placing straw at the 20 cm soil depth. There are generally good correlations among the mulch integration methods at p < 0.05, and with average errors/biases <10%. Straw mixing exhibited the best effect in terms of soil infiltration, followed by straw mulching. Due to over-burden weight-compaction effect, straw inter-layering somehow retarded soil infiltration. In terms of soil water evaporation, straw mulching exhibited the best effect. This was followed by straw mixing and then straw inter-layering. Straw inter-layering could have a long-lasting positive effect on soil evaporation as it limited the evaporative consumption of deep soil water. The responses of the direct straw integration modes to soil infiltration and evaporation could lay the basis for developing efficient water-conservation strategies. This is especially useful for water-scarce agricultural regions such as the arid/semi-arid regions of China.
Effect of the hexagonal phase interlayer on rectification properties of boron nitride heterojunctions to silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teii, K., E-mail: teii@asem.kyushu-u.ac.jp; Ito, H.; Katayama, N.

2015-02-07

Rectification properties of boron nitride/silicon p-n heterojunction diodes fabricated under low-energy ion impact by plasma-enhanced chemical vapor deposition are studied in terms of the resistive sp{sup 2}-bonded boron nitride (sp{sup 2}BN) interlayer. A two-step biasing technique is developed to control the fraction of cubic boron nitride (cBN) phase and, hence, the thickness of the sp{sup 2}BN interlayer in the films. The rectification ratio at room temperature is increased up to the order of 10{sup 4} at ±10 V of biasing with increasing the sp{sup 2}BN thickness up to around 130 nm due to suppression of the reverse leakage current. The variation ofmore » the ideality factor in the low bias region is related to the interface disorders and defects, not to the sp{sup 2}BN thickness. The forward current follows the Frenkel-Poole emission model in the sp{sup 2}BN interlayer at relatively high fields when the anomalous effect is assumed. The transport of the minority carriers for reverse current is strongly limited by the high bulk resistance of the thick sp{sup 2}BN interlayer, while that of the major carriers for forward current is much less affected.« less
Thickness effects of yttria-doped ceria interlayers on solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Fan, Zeng; An, Jihwan; Iancu, Andrei; Prinz, Fritz B.

2012-11-01

Determining the optimal thickness range of the interlayed yttria-doped ceria (YDC) films promises to further enhance the performance of solid oxide fuel cells (SOFCs) at low operating temperatures. The YDC interlayers are fabricated by the atomic layer deposition (ALD) method with one super cycle of the YDC deposition consisting of 6 ceria deposition cycles and one yttria deposition cycle. YDC films of various numbers of ALD super cycles, ranging from 2 to 35, are interlayered into bulk fuel cells with a 200 um thick yttria-stabilized zirconia (YSZ) electrolyte. Measurements and analysis of the linear sweep voltammetry of these fuel cells reveal that the performance of the given cells is maximized at 10 super cycles. Auger elemental mapping and X-ray photoelectron spectroscopy (XPS) techniques are employed to determine the film completeness, and they verify 10 super cycles of YDC to be the critical thickness point. This optimal YDC interlayer condition (6Ce1Y × 10 super cycles) is applied to the case of micro fuel cells as well, and the average performance enhancement factor is 1.4 at operating temperatures of 400 and 450 °C. A power density of 1.04 W cm-2 at 500 °C is also achieved with the optimal YDC recipe.
Interlayer Water Regulates the Bio-nano Interface of a β-sheet Protein stacking on Graphene

NASA Astrophysics Data System (ADS)

Lv, Wenping; Xu, Guiju; Zhang, Hongyan; Li, Xin; Liu, Shengju; Niu, Huan; Xu, Dongsheng; Wu, Ren'an

2015-01-01

Using molecular dynamics simulations, we investigated an integrated bio-nano interface consisting of a β-sheet protein stacked onto graphene. We found that the stacking assembly of the model protein on graphene could be controlled by water molecules. The interlayer water filled within interstices of the bio-nano interface could suppress the molecular vibration of surface groups on protein, and could impair the CH...π interaction driving the attraction of the protein and graphene. The intermolecular coupling of interlayer water would be relaxed by the relative motion of protein upon graphene due to the interaction between water and protein surface. This effect reduced the hindrance of the interlayer water against the assembly of protein on graphene, resulting an appropriate adsorption status of protein on graphene with a deep free energy trap. Thereby, the confinement and the relative sliding between protein and graphene, the coupling of protein and water, and the interaction between graphene and water all have involved in the modulation of behaviors of water molecules within the bio-nano interface, governing the hindrance of interlayer water against the protein assembly on hydrophobic graphene. These results provide a deep insight into the fundamental mechanism of protein adsorption onto graphene surface in water.
In Situ Observation of Failure Mechanisms Controlled by Rock Masses with Weak Interlayer Zones in Large Underground Cavern Excavations Under High Geostress

NASA Astrophysics Data System (ADS)

Duan, Shu-Qian; Feng, Xia-Ting; Jiang, Quan; Liu, Guo-Feng; Pei, Shu-Feng; Fan, Yi-Lin

2017-09-01

A weak interlayer zone (WIZ) is a poor rock mass system with loose structure, weak mechanical properties, variable thickness, random distribution, strong extension, and high risk due to the shear motion of rock masses under the action of tectonism, bringing many stability problems and geological hazards, especially representing a potential threat to the overall stability of rock masses with WIZs in large underground cavern excavations. Focusing on the deformation and failure problems encountered in the process of excavation unloading, this research proposes comprehensive in situ observation schemes for rock masses with WIZs in large underground cavern on the basis of the collection of geological, construction, monitoring, and testing data. The schemes have been fully applied in two valuable project cases of an underground cavern group under construction in the southwest of China, including the plastic squeezing-out tensile failure and the structural stress-induced collapse of rock masses with WIZs. In this way, the development of rock mass failure, affected by the step-by-step excavations along the cavern's axis and the subsequent excavation downward, could be observed thoroughly. Furthermore, this paper reveals the preliminary analyses of failure mechanism of rock masses with WIZs from several aspects, including rock mass structure, strength, high stress, ground water effects, and microfracture mechanisms. Finally, the failure particularities of rock masses with WIZs and rethink on prevention and control of failures are discussed. The research results could provide important guiding reference value for stability analysis, as well as for rethinking the excavation and support optimization of rock masses with WIZs in similar large underground cavern under high geostress.
Long-term field monitoring of paving fabric interlayer systems to reduce reflective cracking.

DOT National Transportation Integrated Search

2016-06-01

The formation of reflective cracking of pavement overlays has confronted highway engineers for many years. Stress-relieving interlayers, such as paving fabrics, have been used in an attempt to reduce or delay reflective cracking. The primary objectiv...
Animated molecular dynamics simulations of hydrated caesium-smectite interlayers

PubMed Central

Sutton, Rebecca; Sposito, Garrison

2002-01-01

Computer animation of center of mass coordinates obtained from 800 ps molecular dynamics simulations of Cs-smectite hydrates (1/3 and 2/3 water monolayers) provided information concerning the structure and dynamics of the interlayer region that could not be obtained through traditional simulation analysis methods. Cs+ formed inner sphere complexes with the mineral surface, and could be seen to jump from one attracting location near a layer charge site to the next, while water molecules were observed to migrate from the hydration shell of one ion to that of another. Neighboring ions maintained a partial hydration shell by sharing water molecules, such that a single water molecule hydrated two ions simultaneously for hundreds of picoseconds. Cs-montmorillonite hydrates featured the largest extent of this sharing interaction, because interlayer ions were able to inhabit positions near surface cavities as well as at their edges, close to oxygen triads. The greater positional freedom of Cs+ within the montmorillonite interlayer, a result of structural hydroxyl orientation and low tetrahedral charge, promoted the optimization of distances between cations and water molecules required for water sharing. Preference of Cs+ for locations near oxygen triads was observed within interlayer beidellite and hectorite. Water molecules also could be seen to interact directly with the mineral surface, entering its surface cavities to approach attracting charge sites and structural hydroxyls. With increasing water content, water molecules exhibited increased frequency and duration of both cavity habitation and water sharing interactions. Competition between Cs+ and water molecules for surface sites was evident. These important cooperative and competitive features of interlayer molecular behavior were uniquely revealed by animation of an otherwise highly complex simulation output.
Improvement of the thermal stability of nickel silicide using a ruthenium interlayer deposited via remote plasma atomic layer deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Inhye; Park, Jingyu; Jeon, Heeyoung

In this study, the effects of a thin Ru interlayer on the thermal and morphological stability of NiSi have been investigated. Ru and Ni thin films were deposited sequentially to form a Ni/Ru/Si bilayered structure, without breaking the vacuum, by remote plasma atomic layer deposition (RPALD) on a p-type Si wafer. After annealing at various temperatures, the thermal stabilities of the Ni/Ru/Si and Ni/Si structures were investigated by various analysis techniques. The results showed that the sheet resistance of the Ni/Ru/Si sample was consistently lower compared to the Ni/Si sample over the entire temperature range. Although both samples exhibited themore » formation of NiSi{sub 2} phases at an annealing temperature of 800 °C, as seen with glancing angle x-ray diffraction, the peaks of the Ni/Ru/Si sample were observed to have much weaker intensities than those obtained for the Ni/Si sample. Moreover, the NiSi film with a Ru interlayer exhibited a better interface and improved surface morphologies compared to the NiSi film without a Ru interlayer. These results show that the phase transformation of NiSi to NiSi{sub 2} was retarded and that the smooth NiSi/Si interface was retained due to the activation energy increment for NiSi{sub 2} nucleation that is caused by adding a Ru interlayer. Hence, it can be said that the Ru interlayer deposited by RPALD can be used to control the phase transformation and physical properties of nickel silicide phases.« less
Nanocarbon Allotropes-Graphene and Nanocrystalline Diamond-Promote Cell Proliferation.

PubMed

Verdanova, Martina; Rezek, Bohuslav; Broz, Antonin; Ukraintsev, Egor; Babchenko, Oleg; Artemenko, Anna; Izak, Tibor; Kromka, Alexander; Kalbac, Martin; Hubalek Kalbacova, Marie

2016-05-01

Two profoundly different carbon allotropes - nanocrystalline diamond and graphene - are of considerable interest from the viewpoint of a wide range of biomedical applications including implant coating, drug and gene delivery, cancer therapy, and biosensing. Osteoblast adhesion and proliferation on nanocrystalline diamond and graphene are compared under various conditions such as differences in wettability, topography, and the presence or absence of protein interlayers between cells and the substrate. The materials are characterized in detail by means of scanning electron microscopy, atomic force microscopy, photoelectron spectroscopy, Raman spectroscopy, and contact angle measurements. In vitro experiments have revealed a significantly higher degree of cell proliferation on graphene than on nanocrystalline diamond and a tissue culture polystyrene control material. Proliferation is promoted, in particular, by hydrophobic graphene with a large number of nanoscale wrinkles independent of the presence of a protein interlayer, i.e., substrate fouling is not a problematic issue in this respect. Nanowrinkled hydrophobic graphene, thus, exhibits superior characteristics for those biomedical applications where high cell proliferation is required under differing conditions. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Small, highly oriented Ru grains in intermediate layer realized through suppressing relaxation of low-angle grain boundaries for perpendicular recording media

NASA Astrophysics Data System (ADS)

Itagaki, Norikazu; Saito, Shin; Takahashi, Migaku

2009-04-01

Through analyzing the growth mechanism of the Ru layer in a nonmagnetic intermediate layer (NMIL) for perpendicular magnetic recording media, a concept for the NMIL is proposed in order to realize a recording layer of small, highly c-plane oriented grains with no intergranular exchange coupling. It was found that (1) fast Fourier transform analysis of plan-view transmission electron microscopy lattice images of Ru layers revealed that hexagonal close packed Ru grains in a c-plane oriented film readily coalesce with each other due to the disappearance of low-angle tilt boundaries. (2) A promising candidate for a NMIL consists of three individual epitaxially grown functional layers: a large-grain seed layer with a highly oriented sheet texture, a first interlayer of small grains, and a second interlayer of nonmagnetic grains isolated by a segregated oxide. (3) The Ru-SiO2/Ru/Mg NMIL based on the proposed concept exhibited small (diameter: 4.8 nm) Ru grains while retaining a narrow orientation distribution of 4.1°.
The 10Å phase: a high-pressure expandable sheet silicate stable during subduction of hydrated lithosphere

NASA Astrophysics Data System (ADS)

Fumagalli, Patrizia; Stixrude, Lars; Poli, Stefano; Snyder, Don

2001-03-01

H 2O storage and release in deep subducting lithosphere is controlled by complex reaction suites involving a variety of hydrous phases. As a result of its relatively large thermal stability and intermediate composition, the 10Å phase (Mg 3Si 4O 10(OH) 2· nH 2O) has been regarded as a relevant H 2O reservoir in a wide range of rock compositions and mineral assemblages. High-pressure syntheses of the 10Å phase were carried out at 6.7 GPa and 650°C under fluid-saturated conditions in a Walker-type multi-anvil apparatus, from 5 min to 430 h. X-ray powder diffraction of large platy hexagonal crystals of the 10Å phase (up to 100 μm) were indexed on the basis of a trioctahedral-type structure. Long-term run products (>110 h) reveal sensitivity of the 10Å phase to treatment with acetone leading to the appearance of diffractions at greater d-spacings (10.2-11.6 Å) with respect to the basal peak of the 10Å phase (9.64-10.07 Å). This swelling behavior is strongly related to synthesis run duration. The Raman spectrum of the 10Å phase at frequencies less than 800 cm -1 shows a strong similarity to talc. In the Si-O stretching region (800-1100 cm -1), the 10Å phase exhibits three modes (909, 992 and 1058 cm -1), as compared to two in talc. The bending mode of water (ν 2) is found at 1593 cm -1. In the OH stretching region, peaks at 3593, 3622 and 3668 cm -1 were observed. The acetone treated sample shows a C-H stretching mode at 2923 cm -1 while the double bond CO signal is absent. The swelling behavior of the 10Å phase is interpreted as due to intercalation of acetone with pre-existing interlayer water. The efficiency of this process is dependent on the amount of the interlayer water which in turn depends on run duration. The relation between the response to acetone treatment and run duration is therefore interpreted as a time-dependent hydration of the 10Å phase. The fractions transformed from non-expandable to expandable fractions was fitted to the Avrami empirical law which suggests that kinetics are mainly controlled by diffusion rather than phase boundary reactions. The ability to accommodate variable amounts of H 2O makes the 10Å phase a major H 2O sink whenever a hydrous phase such as chlorite and serpentine breaks down during prograde transformations in the subducted lithosphere. Under H 2O-saturated conditions, a fully hydrated 10Å phase occurs; when H 2O-undersaturated conditions prevail, a H 2O-deficient 10Å phase incorporates the volatile component available. The exchange capacity of interlayer molecules in the 10Å phase structure opens new scenarios on the control of fluid compositions escaping from subducted slabs.
Bi-quadratic interlayer exchange coupling in Co{sub 2}MnSi/Ag/Co{sub 2}MnSi pseudo spin-valve

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goripati, Hari S.; Hono, K.; Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-0047

2011-12-15

Bi-quadratic interlayer exchange coupling is found below 100 K in a Co{sub 2}MnSi/Ag/Co{sub 2}MnSi current-perpendicular-to-plane pseudo spin valves. The bi-quadratic coupling constant J{sub 2} was estimated to be {approx}-0.30 erg/cm{sup 2} at 5 K and the strong temperature dependence of the coupling strength points its likely origin to the ''loose spin'' model. Application of current of {approx}2 x 10{sup 7} A/cm{sup 2} below 100 K leads to an increase in the magnetoresistance (MR), indicating current induced antiparallel alignment of the two magnetic layers. These results strongly suggest that the presence of the bi-quadratic interlayer exchange coupling causes the reduction ofmore » the magnetoresistance at low temperature and illustrates the importance of understanding the influence of interlayer exchange coupling on magnetization configuration in magnetic nanostructures.« less
Recombination zone in white organic light emitting diodes with blue and orange emitting layers

NASA Astrophysics Data System (ADS)

Tsuboi, Taiju; Kishimoto, Tadashi; Wako, Kazuhiro; Matsuda, Kuniharu; Iguchi, Hirofumi

2012-10-01

White fluorescent OLED devices with a 10 nm thick blue-emitting layer and a 31 nm thick orange-emitting layer have been fabricated, where the blue-emitting layer is stacked on a hole transport layer. An interlayer was inserted between the two emitting layers. The thickness of the interlayer was changed among 0.3, 0.4, and 1.0 nm. White emission with CIE coordinates close to (0.33, 0.33) was observed from all the OLEDs. OLED with 0.3 nm thick interlayer gives the highest maximum luminous efficiency (11 cd/A), power efficiency (9 lm/W), and external quantum efficiency (5.02%). The external quantum efficiency becomes low with increasing the interlayer thickness from 0 nm to 1.0 nm. When the location of the blue- and orange-emitting layers is reversed, white emission was not obtained because of too weak blue emission. It is suggested that the electron-hole recombination zone decreases nearly exponentially with a distance from the hole transport layer.

Revealing the preferred interlayer orientations and stackings of two-dimensional bilayer gallium selenide crystals.

PubMed

Li, Xufan; Basile, Leonardo; Yoon, Mina; Ma, Cheng; Puretzky, Alexander A; Lee, Jaekwang; Idrobo, Juan C; Chi, Miaofang; Rouleau, Christopher M; Geohegan, David B; Xiao, Kai

2015-02-23

Characterizing and controlling the interlayer orientations and stacking orders of two-dimensional (2D) bilayer crystals and van der Waals (vdW) heterostructures is crucial to optimize their electrical and optoelectronic properties. The four polymorphs of layered gallium selenide (GaSe) crystals that result from different layer stackings provide an ideal platform to study the stacking configurations in 2D bilayer crystals. Through a controllable vapor-phase deposition method, bilayer GaSe crystals were selectively grown and their two preferred 0° or 60° interlayer rotations were investigated. The commensurate stacking configurations (AA' and AB stacking) in as-grown bilayer GaSe crystals are clearly observed at the atomic scale, and the Ga-terminated edge structure was identified using scanning transmission electron microscopy. Theoretical analysis reveals that the energies of the interlayer coupling are responsible for the preferred orientations among the bilayer GaSe crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Comparative Study of HfTa-based gate-dielectric Ge metal-oxide-semiconductor capacitors with and without AlON interlayer

NASA Astrophysics Data System (ADS)

Xu, J. P.; Zhang, X. F.; Li, C. X.; Chan, C. L.; Lai, P. T.

2010-04-01

The electrical properties and high-field reliability of HfTa-based gate-dielectric metal-oxide-semiconductor (MOS) devices with and without AlON interlayer on Ge substrate are investigated. Experimental results show that the MOS capacitor with HfTaON/AlON stack gate dielectric exhibits low interface-state/oxide-charge densities, low gate leakage, small capacitance equivalent thickness (˜1.1 nm), and high dielectric constant (˜20). All of these should be attributed to the blocking role of the ultrathin AlON interlayer against interdiffusions of Ge, Hf, and Ta and penetration of O into the Ge substrate, with the latter effectively suppressing the unintentional formation of unstable poor-quality low- k GeO x and giving a superior AlON/Ge interface. Moreover, incorporation of N into both the interlayer and high- k dielectric further improves the device reliability under high-field stress through the formation of strong N-related bonds.
Gallium arsenide single crystal solar cell structure and method of making

NASA Technical Reports Server (NTRS)

Stirn, Richard J. (Inventor)

1983-01-01

A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.
Comparative study of the tribological behavior under hybrid lubrication of diamond-like carbon films with different adhesion interfaces

NASA Astrophysics Data System (ADS)

Costa, R. P. C.; Lima-Oliveira, D. A.; Marciano, F. R.; Lobo, A. O.; Corat, E. J.; Trava-Airoldi, V. J.

2013-11-01

This paper reports the influence of the adhesion interlayer between stainless steel and diamond-like carbon (DLC) films in two different contact conditions: in dry air and deionized water. The water was the liquid used to understand the mechanism and chemical reactions of the tribolayer formation under boundary lubrication. The effect of silicon and carbonitride adhesion interlayer was investigated on uncoated and coated DLC films. The results show that DLC/DLC pairs using carbonitride in air (30% RH) showed 60% less friction coefficient and wear less than three orders of magnitude than DLC/DLC pairs using silicon as interlayer. In deionized water, DLC/DLC pairs using carbonitride as interlayer showed 31% less friction coefficient when compared to DLC/DLC pairs with silicon. Raman related the chemical and structural changes in the DLC films during sliding in air and in the presence of water. Scratch tests showed a critical load of 14 N and 33 N in DLC films with silicon and carbonitride, respectively.
Interlayer shear behaviors of graphene-carbon nanotube network

NASA Astrophysics Data System (ADS)

Qin, Huasong; Liu, Yilun

2017-09-01

The interlayer shear resistance plays an important role in graphene related applications, and different mechanisms have been proposed to enhance its interlayer load capacity. In this work, we performed molecular dynamics (MD) simulations and theoretical analysis to study interlayer shear behaviors of three dimensional graphene-carbon (3D-GC) nanotube networks. The shear mechanical properties of carbon nanotubes (CNTs) crosslink with different diameters are obtained which is one order of magnitude larger than that of other types of crosslinks. Under shear loading, 3D-GC exhibits two failure modes, i.e., fracture of graphene sheet and failure of CNT crosslink, determined by the diameter of CNT crosslink, crosslink density, and length of 3D-GC. A modified tension-shear chain model is proposed to predict the shear mechanical properties and failure mode of 3D-GC, which agrees well with MD simulation results. The results presented in this work may provide useful insights for future development of high-performance 3D-GC materials.
Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

NASA Astrophysics Data System (ADS)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.
Nano-confined water in the interlayers of hydrocalumite: Reorientational dynamics probed by neutron spectroscopy and molecular dynamics computer simulations

NASA Astrophysics Data System (ADS)

Kalinichev, A. G.; Faraone, A.; Udovic, T.; Kolesnikov, A. I.; de Souza, N. R.; Reinholdt, M. X.; Kirkpatrick, R.

2008-12-01

Layered double hydroxides (LDHs, anionic clays) represent excellent model systems for detailed molecular- level studies of the structure, dynamics, and energetics of nano-confined water in mineral interlayers and nano-pores, because LDH interlayers can have a well-defined structures and contain H2O molecules and a wide variety of anions in structurally well-defined positions and coordinations. [Ca2Al(OH)6]Cl·2H2O, also known as hydrocalumite or Friedel's salt, has a well- ordered Ca,Al distribution in the hydroxide layer and a very high degree of H2O,Cl ordering in the interlayer. It is also one of the only LDH phase for which a single crystal structure refinement is available. Thus, it is currently the best model compound for understanding the structure and dynamical behavior of interlayer and surface species in other, less-ordered, LDHs. We investigated the structural and dynamic behavior of water in the interlayers of hydrocalumite using inelastic (INS) and quasielastic (QENS) neutron scattering and molecular dynamics computer simulations. The comperehensive neutron scattering studies were performed for one fully hydrated and one dehydrated sample of hydrocalumite using several complementary instruments (HFBS, DCS and FANS at NCNR; HRMECS and QENS at IPNS) at temperatures above and below the previously discovered order-disorder interlayer phase transition. Together the experimental and molecular modeling results capture the important details of the dynamics of nano-confined water and the effects of the orientational ordering of H2O molecules above and below the phase transition. They provide otherwise unobtainable experimental information about the transformation of H2O librational and diffusional modes across the order-disorder phase transition and significantly add to our current understanding of the structure and dynamics of water in LDH phases based on the earlier NMR, IR, X-ray, and calorimetric measurements. The approach can now be extended to probe the dynamics of nano-confined and interfacial water in more disordered phases (LDH, clays, cement, etc.), for which much less initial structural information is available.
Interlayer coupling effects on Schottky barrier in the arsenene-graphene van der Waals heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xia, Congxin, E-mail: xiacongxin@htu.edu.cn; Xue, Bin; Wang, Tianxing

The electronic characteristics of arsenene-graphene van der Waals (vdW) heterostructures are studied by using first-principles methods. The results show that a linear Dirac-like dispersion relation around the Fermi level can be quite well preserved in the vdW heterostructures. Moreover, the p-type Schottky barrier (0.18 eV) to n-type Schottky barrier (0.31 eV) transition occurs when the interlayer distance increases from 2.8 to 4.5 Å, which indicates that the Schottky barrier can be tuned effectively by the interlayer distance in the vdW heterostructures.
Laser-Induced Fabrication of Metallic Interlayers and Patterns in Polyimide Films

NASA Technical Reports Server (NTRS)

Miner, Gilda A. (Inventor); Stoakley, Diane M. (Inventor); Gaddy, Gregory A. (Inventor); Koplitz, Brent D. (Inventor); Simpson, Steven M. (Inventor); Lynch, Michael F. (Inventor); Ruffner, Samuel C. (Inventor)

2010-01-01

Self-metallizing polyimide films are created by doping polyamic acid solutions with metallic ions and solubilizing agents. Upon creating a film, the film is exposed to coherent light for a specific time and then cured. The resulting film has been found to have a metallic surface layer and a metallic subsurface layer (interlayer). The layer separating the metallic layer has a uniform dispersion of small metal particulates within the polymer. The layer below the interlayer has larger metal particulates uniformly distributed within the polymer. By varying the intensity or time of exposure to the coherent light, three-dimensional control of metal formation within the film is provided.
Microscopic structure and properties of discrete water layer in Na-exchanged montmorillonite.

PubMed

Emmerich, Katja; Koeniger, Franz; Kaden, Heike; Thissen, Peter

2015-06-15

In this work, we focus on the atomic structure of the water interlayer of Na-exchanged montmorillonite. For two different surface charge densities, namely -0.086 and -0.172 C/m(2), the adsorption process in the presence of water is described by first principles calculations. We describe the interactions and forces for every water molecule entering the interlayer during the swelling process. In particular, the dielectric permittivity of the water interlayer is calculated. Finally, we confirm our results performing ab initio thermodynamics calculations leading to a wide range of realistic experimental scenarios. Copyright © 2015 Elsevier Inc. All rights reserved.
The nature of the interlayer interaction in bulk and few-layer phosphorus

DOE PAGES

Shulenburger, Luke; Baczewski, A. D.; Zhu, Z.; ...

2015-11-02

Sensitive dependence of the electronic structure on the number of layers in few-layer phosphorene raises a question about the true nature of the interlayer interaction in so-called van der Waals (vdW) solids . We performed quantum Monte Carlo calculations and found that the interlayer interaction in bulk black phosphorus and related few-layer phosphorene is associated with a significant charge redistribution that is incompatible with purely dispersive forces and not captured by density functional theory calculations with different vdW corrected functionals. Lastly, these findings confirm the necessity of more sophisticated treatment of nonlocal electron correlation in total energy calculations.
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus.

PubMed

Shulenburger, L; Baczewski, A D; Zhu, Z; Guan, J; Tománek, D

2015-12-09

Sensitive dependence of the electronic structure on the number of layers in few-layer phosphorene raises a question about the true nature of the interlayer interaction in so-called "van der Waals (vdW) solids". We performed quantum Monte Carlo calculations and found that the interlayer interaction in bulk black phosphorus and related few-layer phosphorene is associated with a significant charge redistribution that is incompatible with purely dispersive forces and not captured by density functional theory calculations with different vdW corrected functionals. These findings confirm the necessity of more sophisticated treatment of nonlocal electron correlation in total energy calculations.
Layered gadolinium hydroxides for simultaneous drug delivery and imaging.

PubMed

Xu, Yadong; Goyanes, Alvaro; Wang, Yuwei; Weston, Andrew J; So, Po-Wah; Geraldes, Carlos F G C; Fogg, Andrew M; Basit, Abdul W; Williams, Gareth R

2018-02-27

The potential of the layered gadolinium hydroxide (LGdH) [Gd 2 (OH) 5 ]Cl·yH 2 O (LGdH-Cl) for simultaneous drug delivery and magnetic resonance imaging was explored in this work. Three non-steroidal anti-inflammatory drugs (diclofenac [dic], ibuprofen [ibu], and naproxen [nap]) were intercalated into LGdH-Cl for the first time, using three different routes (ion exchange intercalation, coprecipitation, and exfoliation-self-assembly). X-ray diffraction, elemental microanalysis and IR spectroscopy confirmed successful incorporation of the drug into the interlayer spaces of the LGdH in all cases. From a comparison of the guest anion sizes and interlayer spacings, the active ingredients are believed to adopt intertwined bilayer configurations between the LGdH layers. The materials prepared by coprecipitation in general have noticeably higher drug loadings than those produced by ion exchange or self-assembly, as a result of the incorporation of some neutral drug into the composites. The LGdH-drug intercalates are stable at neutral pH, but rapidly degrade in acidic conditions to free Gd 3+ into solution. While LGdH-nap releases its drug loading into solution very rapidly (within ca. 1.5 h) at pH 7.4, LGdH-dic shows sustained release over 4 h, and LGdH-ibu extends this to 24 h. The latter composites therefore can be incorporated into enteric-coated tablets to provide sustained release in the small intestine. The drug intercalates are highly biocompatible and retain the proton relaxivity properties of the parent LGdH-Cl, with the materials most promising for use as negative contrast agents in MRI. Overall, the LGdH-drug intercalation compounds appear to have great potential for use in theranostic applications.
Formation and Restacking of Disordered Smectite Osmotic Hydrates

DOE PAGES

Gilbert, Benjamin; Comolli, Luis R.; Tinnacher, Ruth M.; ...

2015-12-01

Clay swelling, an important phenomenon in natural systems, can dramatically affect the properties of soils and sediments. Something of particular interest in low-salinity, saturated systems are osmotic hydrates, forms of smectite in which the layer separation greatly exceeds the thickness of a single smectite layer due to the intercalation of water. In situ X-ray diffraction (XRD) studies have shown a strong link between ionic strength and average interlayer spacing in osmotic hydrates but also indicate the presence of structural disorder that has not been fully described. In the present study the structural state of expanded smectite in sodium chloride solutionsmore » was investigated by combining very low electron dose, high-resolution cryogenic-transmission electron microscopy observations with XRD experiments. Wyoming smectite (SWy-2) was embedded in vitreous ice to evaluate clay structure in aqua. Lattice-fringe images showed that smectite equilibrated in aqueous, low-ionic-strength solutions, exists as individual smectite layers, osmotic hydrates composed of parallel layers, as well as disordered layer conformations. There was no evidence found here for edge-to-sheet attractions, but significant variability in interlayer spacing was observed. Whether this variation could be explained by a dependence of the magnitude of long-range cohesive (van der Waals) forces on the number of layers in a smectite particle was investigated here. Calculations of the Hamaker constant for layer-layer interactions showed that van der Waals forces may span at least five layers plus the intervening water and confirmed that forces vary with layer number. The drying of the disordered osmotic hydrates induced re-aggregation of the smectite to form particles that exhibited coherent scattering domains. Clay disaggregation and restacking may be considered as an example of oriented attachment, with the unusual distinction that it may be cycled repeatedly by changing solution conditions.« less
Microscopic vertical orientation of nano-interspaced graphene architectures in deposit films as electrodes for enhanced supercapacitor performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jang, Gyoung Gug; Song, Bo; Li, Liyi

This paper reported a novel two-step process to fabricate high-performance supercapacitor films that contain microscale domains of nano-interspaced, re-stacked graphene sheets oriented perpendicular to the surface of current collector substrate, i.e., carbon fiber paper. In the two-step process, we first used ligand molecules to modify the surface of graphene oxide (GO) sheets and manipulate the interspacing between the re-stacked GO sheets. The ligand-modified GOs, i.e., m-GOs, were then reduced to obtain more conductive graphene (m-rGO), where X-ray diffraction measurement results indicated well-controlled interlayer spacing between the restacked m-rGO sheets up to 1 nm. The typical lateral dimension of the restackedmore » m-rGO sheets were ~40 µm. Then, electrical field was introduced during m-rGO slurry deposition process to induce the vertical orientation of the m-rGO sheets/stacks in the film deposit. The direct current electrical field induced the orientation of the domains of m-rGO stacks along the direction perpendicular to the surface of deposit film, i.e., direction of electric field. Also, the applied electric field increased the interlayer spacing further, which should enhance the diffusion and accessibility of electrolyte ions. As compared with the traditionally deposited “control” films, the field-processed film deposits that contain oriented structure of graphene sheets/stacks have shown up to ~1.6 times higher values in capacitance (430 F/g at 0.5 A/g) and ~67% reduction in equivalent series resistance. Finally, the approach of using electric field to tailor the microscopic architecture of graphene-based deposit films is effective to fabricate film electrodes for high performance supercapacitors.« less
Microscopic vertical orientation of nano-interspaced graphene architectures in deposit films as electrodes for enhanced supercapacitor performance

DOE PAGES

Jang, Gyoung Gug; Song, Bo; Li, Liyi; ...

2016-12-14

This paper reported a novel two-step process to fabricate high-performance supercapacitor films that contain microscale domains of nano-interspaced, re-stacked graphene sheets oriented perpendicular to the surface of current collector substrate, i.e., carbon fiber paper. In the two-step process, we first used ligand molecules to modify the surface of graphene oxide (GO) sheets and manipulate the interspacing between the re-stacked GO sheets. The ligand-modified GOs, i.e., m-GOs, were then reduced to obtain more conductive graphene (m-rGO), where X-ray diffraction measurement results indicated well-controlled interlayer spacing between the restacked m-rGO sheets up to 1 nm. The typical lateral dimension of the restackedmore » m-rGO sheets were ~40 µm. Then, electrical field was introduced during m-rGO slurry deposition process to induce the vertical orientation of the m-rGO sheets/stacks in the film deposit. The direct current electrical field induced the orientation of the domains of m-rGO stacks along the direction perpendicular to the surface of deposit film, i.e., direction of electric field. Also, the applied electric field increased the interlayer spacing further, which should enhance the diffusion and accessibility of electrolyte ions. As compared with the traditionally deposited “control” films, the field-processed film deposits that contain oriented structure of graphene sheets/stacks have shown up to ~1.6 times higher values in capacitance (430 F/g at 0.5 A/g) and ~67% reduction in equivalent series resistance. Finally, the approach of using electric field to tailor the microscopic architecture of graphene-based deposit films is effective to fabricate film electrodes for high performance supercapacitors.« less
Formation and Restacking of Disordered Smectite Osmotic Hydrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilbert, Benjamin; Comolli, Luis R.; Tinnacher, Ruth M.

Clay swelling, an important phenomenon in natural systems, can dramatically affect the properties of soils and sediments. Something of particular interest in low-salinity, saturated systems are osmotic hydrates, forms of smectite in which the layer separation greatly exceeds the thickness of a single smectite layer due to the intercalation of water. In situ X-ray diffraction (XRD) studies have shown a strong link between ionic strength and average interlayer spacing in osmotic hydrates but also indicate the presence of structural disorder that has not been fully described. In the present study the structural state of expanded smectite in sodium chloride solutionsmore » was investigated by combining very low electron dose, high-resolution cryogenic-transmission electron microscopy observations with XRD experiments. Wyoming smectite (SWy-2) was embedded in vitreous ice to evaluate clay structure in aqua. Lattice-fringe images showed that smectite equilibrated in aqueous, low-ionic-strength solutions, exists as individual smectite layers, osmotic hydrates composed of parallel layers, as well as disordered layer conformations. There was no evidence found here for edge-to-sheet attractions, but significant variability in interlayer spacing was observed. Whether this variation could be explained by a dependence of the magnitude of long-range cohesive (van der Waals) forces on the number of layers in a smectite particle was investigated here. Calculations of the Hamaker constant for layer-layer interactions showed that van der Waals forces may span at least five layers plus the intervening water and confirmed that forces vary with layer number. The drying of the disordered osmotic hydrates induced re-aggregation of the smectite to form particles that exhibited coherent scattering domains. Clay disaggregation and restacking may be considered as an example of oriented attachment, with the unusual distinction that it may be cycled repeatedly by changing solution conditions.« less
Intercalation and structural aspects of macroRAFT agents into MgAl layered double hydroxides.

PubMed

Kostadinova, Dessislava; Cenacchi Pereira, Ana; Lansalot, Muriel; D'Agosto, Franck; Bourgeat-Lami, Elodie; Leroux, Fabrice; Taviot-Guého, Christine; Cadars, Sylvian; Prevot, Vanessa

2016-01-01

Increasing attention has been devoted to the design of layered double hydroxide (LDH)-based hybrid materials. In this work, we demonstrate the intercalation by anion exchange process of poly(acrylic acid) (PAA) and three different hydrophilic random copolymers of acrylic acid (AA) and n -butyl acrylate (BA) with molar masses ranging from 2000 to 4200 g mol -1 synthesized by reversible addition-fragmentation chain transfer (RAFT) polymerization, into LDH containing magnesium(II) and aluminium(III) intralayer cations and nitrates as counterions (MgAl-NO 3 LDH). At basic pH, the copolymer chains (macroRAFT agents) carry negative charges which allowed the establishment of electrostatic interactions with the LDH interlayer and their intercalation. The resulting hybrid macroRAFT/LDH materials displayed an expanded interlamellar domain compared to pristine MgAl-NO 3 LDH from 1.36 nm to 2.33 nm. Depending on the nature of the units involved into the macroRAFT copolymer (only AA or AA and BA), the intercalation led to monolayer or bilayer arrangements within the interlayer space. The macroRAFT intercalation and the molecular structure of the hybrid phases were further characterized by Fourier transform infrared (FTIR) and solid-state 13 C, 1 H and 27 Al nuclear magnetic resonance (NMR) spectroscopies to get a better description of the local structure.
Magnetic ordering of nickel hydroxide layers 30 Å apart obtained by intercalating dodecyl sulfate

NASA Astrophysics Data System (ADS)

Seehra, M. S.; Singh, V.

2013-09-01

The nature of magnetic ordering in quasi-2D layered hydroxide of Ni (LH-Ni-DS) with hexagonal structure and synthesized by intercalating dodecyl sulfate (DS) ligand, (C12H25OSO3)-, between the layers using a hydrothermal technique is investigated. The observation of (00l) peaks up to l = 8 in x-ray diffraction on the sample yields an interlayer spacing c ≃ 30.5 Å and a crystallite size ≃ 16 nm. Assignment of the lines observed in the FTIR spectra to the various groups of the DS ligand confirms the intercalation. From the analysis of detailed investigations of the temperature dependence of the magnetization M at different magnetic fields, ac susceptibilities at frequencies from 0.1 to 1 kHz, and electron magnetic resonance spectra at 9.28 GHz, it is concluded that LH-Ni-DS orders ferromagnetically at TC ≃ 23 K. This TC is about 45% higher than TC ≃ 16 K reported for LH-Ni-Ac with c ≃ 8.6 Å obtained by intercalating an acetate ligand between the layers. The roles of the interlayer dipolar interaction, magnetic anisotropy and exchange interactions in determining TC in LH-Ni-L systems for several ligands L yielding different c-axes are discussed.
Interface properties of MIS structures based on hetero-epitaxial graded-gap Hg1-xCdxTe with CdTe interlayer created in situ during MBE growth

NASA Astrophysics Data System (ADS)

Voitsekhovskii, Alexander V.; Nesmelov, Sergey N.; Dzyadukh, Stanislav M.; Varavin, Vasily S.; Dvoretsky, Sergey A.; Mikhailov, Nikolay N.; Yakushev, Maksim V.; Sidorov, Georgy Yu.

2017-11-01

Heterostructures based on n-Hg1-xCdxTe (x = 0.23-0.40) with near-surface graded-gap layers were grown by molecular beam epitaxy on Si (013) substrates. At 77 K, the admittance of the In/Al2O3/Hg1-xCdxTe metal-insulator-semiconductor (MIS) structures with grown in situ CdTe intermediate layer and without such a layer was investigated. It has been established that MIS structures of In/Al2O3/Hg1-xCdxTe with an interlayer of in situ grown CdTe are characterized by the electrical strength of the dielectric and the qualitative interface. The hysteresis of the capacitive characteristics is practically absent within a small range of variation in the bias voltage. The density of fast surface states at the minimum does not exceed 2.2 × 1010 eV-1 cm-2. MIS structures of In/Al2O3/Hg1-xCdxTe without an intermediate layer of CdTe have significantly higher densities of fast and slow surface states, as well as lower values of the differential resistance of the space-charge region in the regime of strong inversion.

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