Observation of turnover of spontaneous polarization in ferroelectric layer of pentacene/poly-(vinylidene-trifluoroethylene) double-layer capacitor under photo illumination by optical second-harmonic generation measurement

NASA Astrophysics Data System (ADS)

Shi, Zhemin; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

2016-04-01

The details of turnover process of spontaneous polarization and associated carrier motions in indium-tin oxide/poly-(vinylidene-trifluoroethylene)/pentacene/Au capacitor were analyzed by coupling displacement current measurement (DCM) and electric-field-induced optical second-harmonic generation (EFISHG) measurement. A model was set up from DCM results to depict the relationship between electric field in semiconductor layer and applied external voltage, proving that photo illumination effect on the spontaneous polarization process lied in variation of semiconductor conductivity. The EFISHG measurement directly and selectively probed the electric field distribution in semiconductor layer, modifying the model and revealing detailed carrier behaviors involving photo illumination effect, dipole reversal, and interfacial charging in the device. A further decrease of DCM current in the low voltage region under illumination was found as the result of illumination effect, and the result was argued based on the changing of the total capacitance of the double-layer capacitors.

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

Shi, Zhemin; Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro-ku, Tokyo 152-8552; Taguchi, Dai

The details of turnover process of spontaneous polarization and associated carrier motions in indium-tin oxide/poly-(vinylidene-trifluoroethylene)/pentacene/Au capacitor were analyzed by coupling displacement current measurement (DCM) and electric-field-induced optical second-harmonic generation (EFISHG) measurement. A model was set up from DCM results to depict the relationship between electric field in semiconductor layer and applied external voltage, proving that photo illumination effect on the spontaneous polarization process lied in variation of semiconductor conductivity. The EFISHG measurement directly and selectively probed the electric field distribution in semiconductor layer, modifying the model and revealing detailed carrier behaviors involving photo illumination effect, dipole reversal, and interfacial chargingmore » in the device. A further decrease of DCM current in the low voltage region under illumination was found as the result of illumination effect, and the result was argued based on the changing of the total capacitance of the double-layer capacitors.« less

In-situ probing of coupled atomic restructuring and metallicity of oxide heterointerfaces induced by polar adsorbates

NASA Astrophysics Data System (ADS)

Ryu, S.; Zhou, H.; Paudel, T. R.; Irwin, J.; Podkaminer, J. P.; Bark, C. W.; Lee, D.; Kim, T. H.; Fong, D. D.; Rzchowski, M. S.; Tsymbal, E. Y.; Eom, C. B.

2017-10-01

Microscopic understanding of the surface-controlled conductivity of the two dimensional electron gas at complex oxide interfaces is crucial for developing functional interfaces. We observe conductivity and structural modification using in-situ synchrotron surface x-ray diffraction as the surface of a model LaAlO3/SrTiO3 (001) heterostructure is changed by polar adsorbates. We find that polar adsorbate-induced interfacial metallicity reduces polar distortions in the LaAlO3 layer. First-principles density functional theory calculations show that surface dipoles introduced by polar adsorbates lead to additional charge transfer and the reduction of polar displacements in the LaAlO3 layer, consistent with the experimental observations. Our study supports that internal structural deformations controlling functionalities can be driven without the application of direct electrical or thermal bias and offers a route to tuning interfacial properties. These results also highlight the important role of in-situ x-ray scattering with atomic resolution in capturing and exploring structural distortions and charge density changes caused by external perturbations such as chemical adsorption, redox reaction, and generation and/or annihilation of surface defects.

In-situ probing of coupled atomic restructuring and metallicity of oxide heterointerfaces induced by polar adsorbates

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

Ryu, S.; Zhou, H.; Paudel, T. R.

Microscopic understanding of the surface-controlled conductivity of the two dimensional electron gas at complex oxide interfaces is crucial for developing functional interfaces. We observe conductivity and structural modification using in-situ synchrotron surface x-ray diffraction as the surface of a model LaAlO3/SrTiO3 (001) heterostructure is changed by polar adsorbates. We find that polar adsorbate-induced interfacial metallicity reduces polar distortions in the LaAlO3 layer. First-principles density functional theory calculations show that surface dipoles introduced by polar adsorbates lead to additional charge transfer and the reduction of polar displacements in the LaAlO3 layer, consistent with the experimental observations. Our study supports that internalmore » structural deformations controlling functionalities can be driven without the application of direct electrical or thermal bias and offers a route to tuning interfacial properties. These results also highlight the important role of in-situ x-ray scattering with atomic resolution in capturing and exploring structural distortions and charge density changes caused by external perturbations such as chemical adsorption, redox reaction, and generation and/or annihilation of surface defects.« less

Liquid-solid surface phase transformation of fluorinated fullerene on monolayer tungsten diselenide

NASA Astrophysics Data System (ADS)

Song, Zhibo; Wang, Qixing; Li, Ming-Yang; Li, Lain-Jong; Zheng, Yu Jie; Wang, Zhuo; Lin, Tingting; Chi, Dongzhi; Ding, Zijing; Huang, Yu Li; Thye Shen Wee, Andrew

2018-04-01

Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined crystalline organic films form atomically sharp interfaces facilitating optimal device performance. Here, the surface phase transformation of the supramolecular packing structure of fluorinated fullerene (C60F48 ) on single-layer tungsten diselenide (WSe2) is revealed by low-temperature scanning tunneling microscopy, from thermally stable liquid to solid phases as the coverage increases. Statistical analysis of the intermolecular interaction potential reveals that the repulsive dipole-dipole interaction induced by interfacial charge transfer and substrate-mediated interactions play important roles in stabilizing the liquid C60F48 phases. Theoretical calculations further suggest that the dipole moment per C60F48 molecule varies with the surface molecule density, and the liquid-solid transformation could be understood from the perspective of the thermodynamic free energy for open systems. This study offers insights into the growth behavior at 2D organic/TMD hybrid heterointerfaces.

Graphene-enhanced intermolecular interaction at interface between copper- and cobalt-phthalocyanines

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

Dou, Wei-Dong; Center of Super-Diamond and Advanced Films; Huang, Shu-Ping

2015-10-07

Interfacial electronic structures of copper-phthalocyanine (CuPc), cobalt-phthalocyanine (CoPc), and graphene were investigated experimentally by using photoelectron spectroscopy. While the CuPc/graphene interface shows flat band structure and negligible interfacial dipole indicating quite weak molecule-substrate interaction, the CuPc/CoPc/graphene interface shows a large interfacial dipole and obvious energy level bending. Controlled experiments ruled out possible influences from the change in film structure of CuPc and pure π–π interaction between CoPc and CuPc. Analysis based on X-ray photoelectron spectroscopy and density functional theory reveals that the decrease in the work function for the CuPc/CoPc/graphene system is induced by the intermolecular interaction between CuPc andmore » CoPc which is enhanced owning to the peculiar electronic properties at the CoPc-graphene interface.« less

Energy level alignment and molecular conformation at rubrene/Ag interfaces: Impact of contact contaminations on the interfaces

NASA Astrophysics Data System (ADS)

Sinha, Sumona; Wang, C.-H.; Mukherjee, M.

2017-07-01

This paper addresses the impact of electrode contaminations on the interfacial energy level alignment, the molecular conformation, orientation and surface morphology deposited organic film at organic semiconductor/noble metal interfaces by varying of film thickness from sub-monolayer to multilayer, which currently draws significant attention with regard to its application in organic electronics. The UHV clean Ag and unclean Ag were employed as substrate whereas rubrene was used as an organic semiconducting material. The photoelectron spectroscopy (XPS and UPS) was engaged to investigate the evolution of interfacial energetics; polarization dependent near edge x-ray absorption fine structure spectroscopy (NEXAFS) was employed to understand the molecular conformation as well as orientation whereas atomic force microscopy (AFM) was used to investigate the surface morphologies of the films. The adventitious contamination layer was acted as a spacer layer between clean Ag substrate surface and rubrene molecular layer. As a consequence, hole injection barrier height, interface dipole as well as molecular-conformation, molecular-orientation and surface morphology of rubrene thin films were found to depend on the cleanliness of Ag substrate. The results have important inferences about the understanding of the impact of substrate contamination on the energy level alignment, the molecular conformation as well as orientation and surface morphology of deposited rubrene thin film at rubrene/Ag interfaces and are beneficial for the improvement of the device performance.

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.

Long life hydrocarbon conversion catalyst and method of making

DOEpatents

Tonkovich, Anna Lee Y [Pasco, WA; Wang, Yong [Richland, WA; Gao, Yufei [Kennewick, WA

2002-11-12

The present invention includes a catalyst that has at least four layers, (1) porous support, (2) buffer layer, (3) interfacial layer, and optionally (4) catalyst layer. The buffer layer provides a transition of thermal expansion coefficient from the porous support to the interfacial layer thereby reducing thermal expansion stress as the catalyst is heated to high operating temperatures. The method of the present invention for making the at least three layer catalyst has the steps of (1) selecting a porous support, (2) solution depositing an interfacial layer thereon, and optionally (3) depositing a catalyst material onto the interfacial layer; wherein the improvement comprises (4) depositing a buffer layer between the porous support and the interfacial layer.

Experimental verification of orbital engineering at the atomic scale: Charge transfer and symmetry breaking in nickelate heterostructures

NASA Astrophysics Data System (ADS)

Phillips, Patrick J.; Rui, Xue; Georgescu, Alexandru B.; Disa, Ankit S.; Longo, Paolo; Okunishi, Eiji; Walker, Fred; Ahn, Charles H.; Ismail-Beigi, Sohrab; Klie, Robert F.

2017-05-01

Epitaxial strain, layer confinement, and inversion symmetry breaking have emerged as powerful new approaches to control the electronic and atomic-scale structural properties of complex metal oxides. Trivalent rare-earth (RE) nickelate R E NiO3 heterostructures have been shown to be exemplars since the orbital occupancy, degeneracy, and, consequently, electronic/magnetic properties can be altered as a function of epitaxial strain, layer thickness, and superlattice structure. One recent example is the tricomponent LaTiO3-LaNiO3-LaAlO3 superlattice which exhibits charge transfer and orbital polarization as the result of its interfacial dipole electric field. A crucial step towards control of these parameters for future electronic and magnetic device applications is to develop an understanding of both the magnitude and range of the octahedral network's response towards interfacial strain and electric fields. An approach that provides atomic-scale resolution and sensitivity towards the local octahedral distortions and orbital occupancy is therefore required. Here, we employ atomic-resolution imaging coupled with electron spectroscopies and first-principles theory to examine the role of interfacial charge transfer and symmetry breaking in a tricomponent nickelate superlattice system. We find that nearly complete charge transfer occurs between the LaTiO3 and LaNiO3 layers, resulting in a mixed Ni2 +/Ni3 + valence state. We further demonstrate that this charge transfer is highly localized with a range of about 1 unit cell within the LaNiO3 layers. We also show how Wannier-function-based electron counting provides a simple physical picture of the electron distribution that connects directly with formal valence charges. The results presented here provide important feedback to synthesis efforts aimed at stabilizing new electronic phases that are not accessible by conventional bulk or epitaxial film approaches.

"Supersaturated" self-assembled charge-selective interfacial layers for organic solar cells.

PubMed

Song, Charles Kiseok; Luck, Kyle A; Zhou, Nanjia; Zeng, Li; Heitzer, Henry M; Manley, Eric F; Goldman, Samuel; Chen, Lin X; Ratner, Mark A; Bedzyk, Michael J; Chang, Robert P H; Hersam, Mark C; Marks, Tobin J

2014-12-24

To achieve densely packed charge-selective organosilane-based interfacial layers (IFLs) on the tin-doped indium oxide (ITO) anodes of organic photovoltaic (OPV) cells, a series of Ar2N-(CH2)n-SiCl3 precursors with Ar = 3,4-difluorophenyl, n = 3, 6, 10, and 18, was synthesized, characterized, and chemisorbed on OPV anodes to serve as IFLs. To minimize lateral nonbonded -NAr2···Ar2N- repulsions which likely limit IFL packing densities in the resulting self-assembled monolayers (SAMs), precursor mixtures having both small and large n values are simultaneously deposited. These "heterogeneous" SAMs are characterized by a battery of techniques: contact angle measurements, X-ray reflectivity, X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy (UPS), cyclic voltammetry, and DFT computation. It is found that the headgroup densities of these "supersaturated" heterogeneous SAMs (SHSAMs) are enhanced by as much as 17% versus their homogeneous counterparts. Supersaturation significantly modifies the IFL properties including the work function (as much as 16%) and areal dipole moment (as much as 49%). Bulk-heterojunction OPV devices are fabricated with these SHSAMs: ITO/IFL/poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][2-[[(2-ethylhexyl)oxy]carbonyl]-3-fluorothieno[3,4-b]thiophenediyl

“Supersaturated” Self-Assembled Charge-Selective Interfacial Layers for Organic Solar Cells

DOE PAGES

Song, Charles Kiseok; Luck, Kyle A.; Zhou, Nanjia; ...

2014-11-24

Here, to achieve densely packed charge-selective organosilane-based interfacial layers (IFLs) on the tin-doped indium oxide (ITO) anodes of organic photovoltaic (OPV) cells, a series of Ar 2N-(CH 2) n-SiCl3 precursors with Ar = 3,4-difluorophenyl, n = 3, 6, 10, and 18, was synthesized, characterized, and chemisorbed on OPV anodes to serve as IFLs. To minimize lateral nonbonded -NAr 2···Ar 2N- repulsions which likely limit IFL packing densities in the resulting self-assembled monolayers (SAMs), precursor mixtures having both small and large n values are simultaneously deposited. These “heterogeneous” SAMs are characterized by a battery of techniques: contact angle measurements, X-ray reflectivity,more » X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy (UPS), cyclic voltammetry, and DFT computation. It is found that the headgroup densities of these “supersaturated” heterogeneous SAMs (SHSAMs) are enhanced by as much as 17% versus their homogeneous counterparts. Supersaturation significantly modifies the IFL properties including the work function (as much as 16%) and areal dipole moment (as much as 49%). Bulk-heterojunction OPV devices are fabricated with these SHSAMs: ITO/IFL/poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2- b:4,5- b']dithiophene-2,6-diyl][2-[[(2-ethylhexyl)oxy]carbonyl]-3-fluorothieno[3,4-b]thiophenediyl

Extracting elastic properties of an atomically thin interfacial layer by time-domain analysis of femtosecond acoustics

NASA Astrophysics Data System (ADS)

Chen, H.-Y.; Huang, Y.-R.; Shih, H.-Y.; Chen, M.-J.; Sheu, J.-K.; Sun, C.-K.

2017-11-01

Modern devices adopting denser designs and complex 3D structures have created much more interfaces than before, where atomically thin interfacial layers could form. However, fundamental information such as the elastic property of the interfacial layers is hard to measure. The elastic property of the interfacial layer is of great importance in both thermal management and nano-engineering of modern devices. Appropriate techniques to probe the elastic properties of interfacial layers as thin as only several atoms are thus critically needed. In this work, we demonstrated the feasibility of utilizing the time-resolved femtosecond acoustics technique to extract the elastic properties and mass density of a 1.85-nm-thick interfacial layer, with the aid of transmission electron microscopy. We believe that this femtosecond acoustics approach will provide a strategy to measure the absolute elastic properties of atomically thin interfacial layers.

Multimode seismoelectric phenomena generated using explosive and vibroseis sources

NASA Astrophysics Data System (ADS)

Butler, Karl E.; Kulessa, Bernd; Pugin, André J.-M.

2018-05-01

A field trial of seismoelectric surveying was carried out at a site underlain by 20 m of water-saturated clayey Champlain Sea sediments, renowned for their amenability to high resolution imaging by seismic reflection surveys. Seismically induced electrokinetic effects were recorded using an array of 26 grounded dipole electric field antennas, and two different seismic sources including an eight-gauge shotgun, and a moderate power (10 000 lb Minivib) vibrator. Despite the high electrical conductivity of the sediments, shot records show evidence of possible interfacial seismoelectric conversions caused by the arrival of P-waves at the base of the clay/top of bedrock and at the top of a layer of elevated porosity and conductivity within the clay at 7 m depth. However, the data are more remarkable for the fact that P-wave, S-wave, and PS/SP converted wave reflections evident in the seismic records all give rise to electrical arrivals exhibiting very similar moveout patterns in the seismoelectric records. Superficially, these electrical responses could be misinterpreted as simple coseismic seismoelectric effects associated with the arrival of reflected seismic waves at each dipole antenna on surface. However, their broader bandwidth, superior coherency and earlier arrival times compared to their corresponding seismic arrivals indicate that the electrical effects are generated by the arrival of seismic reflections below each dipole at the shallow intraclay interface 7 m below surface. Such quasi-coseismic arrivals have recently been predicted by full-waveform seismoelectric modelling and characterized as evanescent electromagnetic (EM) waves. In retrospect, they were also observed in earlier seismoelectric field trials, but not measured as clearly nor recognized as a distinct seismoelectric mode intermediate between interfacial and coseismic effects. We propose that the observed quasi-coseismic effect can be understood physically as a fringing field emanating from the travelling charge separation associated with a P-wave (direct or mode-converted) crossing a subsurface interface at an oblique angle. Such effects may be nearly indistinguishable from coseismic effects if the interface depth is small compared to the seismic wavelength, but recognition of the phenomenon contributes to an improved understanding of the seismoelectric wavefield, and will lead to improved interpretations. From a practical standpoint, the results of this field trial suggest that using electric field receivers to supplement geophones on surface could yield significantly higher resolution seismic reflection images in those areas where suitable near-surface layers exist for the generation of quasi-coseismic effects. The results also reinforce the importance of using multichannel recording to allow interfacial seismoelectric conversions originating at depth to be distinguished from stronger coseismic and quasi-coseismic arrivals originating in the near-surface by measurement of their arrival time versus offset (moveout) and amplitude versus offset behaviours.

Interfacial characteristics and multiferroic properties of ion-doped BiFeO3/NiFe2O4 thin films

NASA Astrophysics Data System (ADS)

Guo, Meiyou; Tan, Guoqiang; Zheng, Yujuan; Liu, Wenlong; Ren, Huijun; Xia, Ao

2017-05-01

Multi-ion doped BiFeO3/NiFe2O4 bilayered thin films were successfully prepared on fluorine-doped SnO2/glass (SnO2:F) substrates by sol-gel method. The crystalline structure, leakage current, interfacial characteristics, and multiferroic properties were investigated in detail. The results of Rietveld refinement showed that the structure of BSrSFMC layer is transformed from rhombohedral to tetragonal structure by the means of ion-doping. The difference of leakage current density of the BSrSFMC/NiFe2O4 (NFO) bilayered films of the -40 V to 40 V and 40 V to -40 V are 0.32 × 10-5 and 1.13 × 10-5 A/cm2, respectively. It was observed that there are obvious interface effects between BSrSFMC and NFO layers, which will cause the accumulation of space charges and the establishment of built-in internal electric field (EI) at the interface. Therefore, different EI directions will affect the dipoles reversal and migration of carriers in the BSrSFMC layer, which will result in different values of transient current with the same applied voltage in the opposite directions. The larger coercive field (Ec ˜ 750 kV/cm) of BSrSFMC/NFO film indicated that there is a tensile stress at the interface between BSrSFMC and NFO layers, making the polarization difficult. These results showed that the above interesting phenomena of the J-V are closely related to the interface effects between the layer of BiFeO3 and NiFe2O4.

The effect of chain rigidity on the interfacial layer thickness and dynamics of polymer nanocomposites

NASA Astrophysics Data System (ADS)

Cheng, Shiwang; Carrillo, Jan-Michael Y.; Carroll, Bobby; Sumpter, Bobby G.; Sokolov, Alexei P.

There are growing experimental evidences showing the existence of an interfacial layer that has a finite thickness with slowing down dynamics in polymer nanocomposites (PNCs). Moreover, it is believed that the interfacial layer plays a significant role on various macroscopic properties of PNCs. A thicker interfacial layer is found to have more pronounced effect on the macroscopic properties such as the mechanical enhancement. However, it is not clear what molecular parameter controls the interfacial layer thickness. Inspired by our recent computer simulations that showed the chain rigidity correlated well with the interfacial layer thickness, we performed systematic experimental studies on different polymer nanocomposites by varying the chain stiffness. Combining small-angle X-ray scattering, broadband dielectric spectroscopy and temperature modulated differential scanning calorimetry, we find a good correlation between the polymer Kuhn length and the thickness of the interfacial layer, confirming the earlier computer simulations results. Our findings provide a direct guidance for the design of new PNCs with desired properties.

Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: an ab initio molecular dynamics study.

PubMed

Choudhuri, Jyoti Roy; Chandra, Amalendu

2014-10-07

We have performed ab initio molecular dynamics simulations of a liquid-vapor interfacial system consisting of a mixture of water and methanol molecules. Detailed results are obtained for the structural and dynamical properties of the bulk and interfacial regions of the mixture. Among structural properties, we have looked at the inhomogeneous density profiles of water and methanol molecules, hydrogen bond distributions and also the orientational profiles of bulk and interfacial molecules. The methanol molecules are found to have a higher propensity to be at the interface than water molecules. It is found that the interfacial molecules show preference for specific orientations so as to form water-methanol hydrogen bonds at the interface with the hydrophobic methyl group pointing towards the vapor side. It is also found that for both types of molecules, the dipole moment decreases at the interface. It is also found that the local electric field of water influences the dipole moment of methanol molecules. Among the dynamical properties, we have calculated the diffusion, orientational relaxation, hydrogen bond dynamics, and vibrational frequency fluctuations in bulk and interfacial regions. It is found that the diffusion and orientation relaxation of the interfacial molecules are faster than those of the bulk. However, the hydrogen bond lifetimes are longer at the interface which can be correlated with the time scales found from the decay of frequency time correlations. The slower hydrogen bond dynamics for the interfacial molecules with respect to bulk can be attributed to diminished cooperative effects at the interface due to reduced density and number of hydrogen bonds.

Multilayer moisture barrier

DOEpatents

Pankow, Joel W; Jorgensen, Gary J; Terwilliger, Kent M; Glick, Stephen H; Isomaki, Nora; Harkonen, Kari; Turkulainen, Tommy

2015-04-21

A moisture barrier, device or product having a moisture barrier or a method of fabricating a moisture barrier having at least a polymer layer, and interfacial layer, and a barrier layer. The polymer layer may be fabricated from any suitable polymer including, but not limited to, fluoropolymers such as polyethylene terephthalate (PET) or polyethylene naphthalate (PEN), or ethylene-tetrafluoroethylene (ETFE). The interfacial layer may be formed by atomic layer deposition (ALD). In embodiments featuring an ALD interfacial layer, the deposited interfacial substance may be, but is not limited to, Al.sub.2O.sub.3, AlSiO.sub.x, TiO.sub.2, and an Al.sub.2O.sub.3/TiO.sub.2 laminate. The barrier layer associated with the interfacial layer may be deposited by plasma enhanced chemical vapor deposition (PECVD). The barrier layer may be a SiO.sub.xN.sub.y film.

Molecular dynamics of the water liquid-vapor interface

NASA Technical Reports Server (NTRS)

Wilson, M. A.; Pohorille, A.; Pratt, L. R.; MacElroy, R. D. (Principal Investigator)

1987-01-01

The results of molecular dynamics calculations on the equilibrium interface between liquid water and its vapor at 325 K are presented. For the TIP4P model of water intermolecular pair potentials, the average surface dipole density points from the vapor to the liquid. The most common orientations of water molecules have the C2 nu molecular axis roughly parallel to the interface. The distributions are quite broad and therefore compatible with the intermolecular correlations characteristic of bulk liquid water. All near-neighbor pairs in the outermost interfacial layers are hydrogen bonded according to the common definition adopted here. The orientational preferences of water molecules near a free surface differ from those near rigidly planar walls which can be interpreted in terms of patterns found in hexagonal ice 1. The mean electric field in the interfacial region is parallel to the mean polarization which indicates that attention cannot be limited to dipolar charge distributions in macroscopic descriptions of the electrical properties of this interface. The value of the surface tension obtained is 132 +/- 46 dyn/cm, significantly different from the value for experimental water of 68 dyn/cm at 325 K.

Superlubricity behavior with phosphoric acid-water network induced by rubbing.

PubMed

Li, Jinjin; Zhang, Chenhui; Luo, Jianbin

2011-08-02

In present work, a superlubricity phenomenon of phosphoric acid (H(3)PO(4)) was found under ambient conditions. An ultralow friction coefficient of about 0.004 between glass/Si(3)N(4) and sapphire/sapphire tribopairs was obtained under the lubrication of a phosphoric acid aqueous solution (pH 1.5) at high contact pressure (the maximum pressure can reach about 1.65 GPa) after a running-in period of about 600 s. The experimental results indicate that the superlow friction state was very stable for more than 3 h. In such a state, solidlike films formed on the two sliding surfaces, which are hydrates of phosphoric acid with a hydrogen-bonded network according to the Raman spectrum. The superlubricity mechanism is mainly attributed to the hydrogen bond effect that forms a hydrated water layer with low shearing strength, and the dipole-dipole effects that form an interfacial Coulomb repulsion force also make some contributions to low friction. This work may help us to introduce a new approach to superlubricity and may lead to the wide application of superlubricity in future technological and biomedical areas.

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale.

PubMed

Wang, Jianmei; Xia, Quanzhi; Ma, Yang; Meng, Fanning; Liang, Yinan; Li, Zhixiong

2017-09-25

To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view.

Interfacial material for solid oxide fuel cell

DOEpatents

Baozhen, Li; Ruka, Roswell J.; Singhal, Subhash C.

1999-01-01

Solid oxide fuel cells having improved low-temperature operation are disclosed. In one embodiment, an interfacial layer of terbia-stabilized zirconia is located between the air electrode and electrolyte of the solid oxide fuel cell. The interfacial layer provides a barrier which controls interaction between the air electrode and electrolyte. The interfacial layer also reduces polarization loss through the reduction of the air electrode/electrolyte interfacial electrical resistance. In another embodiment, the solid oxide fuel cell comprises a scandia-stabilized zirconia electrolyte having high electrical conductivity. The scandia-stabilized zirconia electrolyte may be provided as a very thin layer in order to reduce resistance. The scandia-stabilized electrolyte is preferably used in combination with the terbia-stabilized interfacial layer. The solid oxide fuel cells are operable over wider temperature ranges and wider temperature gradients in comparison with conventional fuel cells.

Organic photovoltaic device with interfacial layer and method of fabricating same

DOEpatents

Marks, Tobin J.; Hains, Alexander W.

2013-03-19

An organic photovoltaic device and method of forming same. In one embodiment, the organic photovoltaic device has an anode, a cathode, an active layer disposed between the anode and the cathode; and an interfacial layer disposed between the anode and the active layer, the interfacial layer comprising 5,5'-bis[(p-trichlorosilylpropylphenyl)phenylamino]-2,2'-bithiophene (PABTSi.sub.2).

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale

PubMed Central

Xia, Quanzhi; Ma, Yang; Meng, Fanning; Liang, Yinan; Li, Zhixiong

2017-01-01

To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view. PMID:28946690

Polystyrene-block-Poly(ionic liquid) Copolymers as Work Function Modifiers in Inverted Organic Photovoltaic Cells.

PubMed

Park, Jong Baek; Isik, Mehmet; Park, Hea Jung; Jung, In Hwan; Mecerreyes, David; Hwang, Do-Hoon

2018-02-07

Interfacial layers play a critical role in building up the Ohmic contact between electrodes and functional layers in organic photovoltaic (OPV) solar cells. These layers are based on either inorganic oxides (ZnO and TiO 2 ) or water-soluble organic polymers such as poly[(9,9-dioctyl-2,7-fluorene)-alt-(9,9-bis(3'-(N,N-dimethylamino)propyl)-2,7-fluorene)] and polyethylenimine ethoxylated (PEIE). In this work, we have developed a series of novel poly(ionic liquid) nonconjugated block copolymers for improving the performance of inverted OPV cells by using them as work function modifiers of the indium tin oxide (ITO) cathode. Four nonconjugated polyelectrolytes (n-CPEs) based on polystyrene and imidazolium poly(ionic liquid) (PSImCl) were synthesized by reversible addition-fragmentation chain transfer polymerization. The ratio of hydrophobic/hydrophilic block copolymers was varied depending on the ratio of polystyrene to the PSImCl block. The ionic density, which controls the work function of the electrode by forming an interfacial dipole between the electrode and the block copolymers, was easily tuned by simply changing the PSImCl molar ratio. The inverted OPV device with the ITO/PS 29 -b-PSImCl 60 cathode achieved the best power conversion efficiency (PCE) of 7.55% among the synthesized block copolymers, exhibiting an even higher PCE than that of the reference OPV device with PEIE (7.30%). Furthermore, the surface properties of the block copolymers films were investigated by contact angle measurements to explore the influence of the controlled hydrophobic/hydrophilic characters on the device performances.

Focus: Structure and dynamics of the interfacial layer in polymer nanocomposites with attractive interactions

DOE PAGES

Cheng, Shiwang; Carroll, Bobby; Bocharova, Vera; ...

2017-03-30

In recent years it has become clear that the interfacial layer formed around nanoparticles in polymer nanocomposites (PNCs) is critical for controlling their macroscopic properties. The interfacial layer occupies a significant volume fraction of the polymer matrix in PNCs and creates strong intrinsic heterogeneity in their structure and dynamics. In this paper, we focus on analysis of the structure and dynamics of the interfacial region in model PNCs with well-dispersed, spherical nanoparticles with attractive interactions. First, we discuss several experimental techniques that provide structural and dynamic information on the interfacial region in PNCs. Then, we discuss the role of variousmore » microscopic parameters in controlling structure and dynamics of the interfacial layer. The analysis presented emphasizes the importance of the polymer-nanoparticle interactions for the slowing down dynamics in the interfacial region, while the thickness of the interfacial layer appears to be dependent on chain rigidity, and has been shown to increase with cooling upon approaching the glass transition. Aside from chain rigidity and polymer-nanoparticle interactions, the interfacial layer properties are also affected by the molecular weight of the polymer and the size of the nanoparticles. Finally, in the last part of this focus article, we emphasize the important challenges in the field of polymer nanocomposites and a potential analogy with the behavior observed in thin films.« less

Radiation patterns of interfacial dipole antennas

NASA Technical Reports Server (NTRS)

Engheta, N.; Papas, C. H.; Elachi, C.

1982-01-01

The radiation pattern of an infinitesimal electric dipole is calculated for the case where the dipole is vertically located on the plane interface of two dielectric half spaces and for the case where the dipole is lying horizontally along the interface. For the vertical case, it is found that the radiation pattern has nulls at the interface and along the dipole axis. For the horizontal case, it is found that the pattern has a null at the interface; that the pattern in the upper half space, whose index of refraction is taken to be less than that of the lower half space, has a single lobe whose maximum is normal to the interface; and that in the lower half space, in the plane normal to the interface and containing the dipole, the pattern has three lobes, whereas in the plane normal to the interface and normally bisecting the dipole, the pattern has two maxima located symmetrically about a minimum. Interpretation of these results in terms of the Cerenkov effect is given.

Mechanistic study of the rubber-brass adhesion interphase

NASA Astrophysics Data System (ADS)

Ashirgade, Akshay

Brass-plated steel tire cords form an essential strengthening component of a radial automobile tire. Adhesion between rubber compound and brass-plated steel tire cord is crucial in governing the overall performance of tires. The rubber-brass interfacial adhesion is influenced by the chemical composition and thickness of the interfacial layer. It has been shown that the interfacial layer consists mainly of sulfides and oxides of copper and zinc. This thesis discusses the effect of changes in the chemical composition and the structure of the interfacial layers due to addition of adhesion promoter resins. Grazing incidence X-Ray Diffraction (GIXRD) experiments were run on sulfidized polished brass coupons previously bonded to six experimental rubber compounds. It was confirmed that heat and humidity conditions lead to physical and chemical changes of the rubber-steel tire cord interfacial layer, closely related to the degree of rubber-brass adhesion. Morphological transformation of the interfacial layer led to loss of adhesion after aging. The adhesion promoter resins inhibit unfavorable morphological changes in the interfacial layer thus stabilizing it during aging and prolonging failure. Tire cord adhesion tests illustrated that the one-component resins improved adhesion after aging using a rubber compound with lower cobalt loading. Based on the acquired diffraction profiles, these resins were also found to impede crystallization of the sulfide layer after aging leading to improved adhesion. Secondary Ion Mass Spectrometry (SIMS) depth profiles, SEM micrographs and AFM images strongly corroborated the findings from GIXRD. FTIR was utilized in a novel way to understand the degradation mechanism due to aging. A model for rubber and interfacial layer degradation is proposed to illustrate the effect of aging and the one-component resins. This interfacial analysis adds valuable new information to our understanding of the complex nature of the rubber-brass bonding mechanism.

Effect of interfacial oxide layers on the current-voltage characteristics of Al-Si contacts

NASA Technical Reports Server (NTRS)

Porter, W. A.; Parker, D. L.

1976-01-01

Aluminum-silicon contacts with very thin interfacial oxide layers and various surface impurity concentrations are studied for both n and p-type silicon. To determine the surface impurity concentrations on p(+)-p and n(+)-n structures, a modified C-V technique was utilized. Effects of interfacial oxide layers and surface impurity concentrations on current-voltage characteristics are discussed based on the energy band diagrams from the conductance-voltage plots. The interfacial oxide and aluminum layer causes image contrasts on X-ray topographs.

Fermi level de-pinning of aluminium contacts to n-type germanium using thin atomic layer deposited layers

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

Gajula, D. R., E-mail: dgajula01@qub.ac.uk; Baine, P.; Armstrong, B. M.

Fermi-level pinning of aluminium on n-type germanium (n-Ge) was reduced by insertion of a thin interfacial dielectric by atomic layer deposition. The barrier height for aluminium contacts on n-Ge was reduced from 0.7 eV to a value of 0.28 eV for a thin Al{sub 2}O{sub 3} interfacial layer (∼2.8 nm). For diodes with an Al{sub 2}O{sub 3} interfacial layer, the contact resistance started to increase for layer thicknesses above 2.8 nm. For diodes with a HfO{sub 2} interfacial layer, the barrier height was also reduced but the contact resistance increased dramatically for layer thicknesses above 1.5 nm.

Solid oxide fuel cell operable over wide temperature range

DOEpatents

Baozhen, Li; Ruka, Roswell J.; Singhal, Subhash C.

2001-01-01

Solid oxide fuel cells having improved low-temperature operation are disclosed. In one embodiment, an interfacial layer of terbia-stabilized zirconia is located between the air electrode and electrolyte of the solid oxide fuel cell. The interfacial layer provides a barrier which controls interaction between the air electrode and electrolyte. The interfacial layer also reduces polarization loss through the reduction of the air electrode/electrolyte interfacial electrical resistance. In another embodiment, the solid oxide fuel cell comprises a scandia-stabilized zirconia electrolyte having high electrical conductivity. The scandia-stabilized zirconia electrolyte may be provided as a very thin layer in order to reduce resistance. The scandia-stabilized electrolyte is preferably used in combination with the terbia-stabilized interfacial layer. The solid oxide fuel cells are operable over wider temperature ranges and wider temperature gradients in comparison with conventional fuel cells.

Study of low resistivity and high work function ITO films prepared by oxygen flow rates and N2O plasma treatment for amorphous/crystalline silicon heterojunction solar cells.

PubMed

Hussain, Shahzada Qamar; Oh, Woong-Kyo; Kim, Sunbo; Ahn, Shihyun; Le, Anh Huy Tuan; Park, Hyeongsik; Lee, Youngseok; Dao, Vinh Ai; Velumani, S; Yi, Junsin

2014-12-01

Pulsed DC magnetron sputtered indium tin oxide (ITO) films deposited on glass substrates with lowest resistivity of 2.62 x 10(-4) Ω x cm and high transmittance of about 89% in the visible wavelength region. We report the enhancement of ITO work function (Φ(ITO)) by the variation of oxygen (O2) flow rate and N2O surface plasma treatment. The Φ(ITO) increased from 4.43 to 4.56 eV with the increase in O2 flow rate from 0 to 4 sccm while surface treatment of N2O plasma further enhanced the ITO work function to 4.65 eV. The crystallinity of the ITO films improved with increasing O2 flow rate, as revealed by XRD analysis. The ITO work function was increased by the interfacial dipole resulting from the surface rich in O- ions and by the dipole moment formed at the ITO surface during N2O plasma treatment. The ITO films with high work functions can be used to modify the front barrier height in heterojunction with intrinsic thin layer (HIT) solar cells.

Remote interfacial dipole scattering and electron mobility degradation in Ge field-effect transistors with GeO x /Al2O3 gate dielectrics

NASA Astrophysics Data System (ADS)

Wang, Xiaolei; Xiang, Jinjuan; Wang, Shengkai; Wang, Wenwu; Zhao, Chao; Ye, Tianchun; Xiong, Yuhua; Zhang, Jing

2016-06-01

Remote Coulomb scattering (RCS) on electron mobility degradation is investigated experimentally in Ge-based metal-oxide-semiconductor field-effect-transistors (MOSFETs) with GeO x /Al2O3 gate stacks. It is found that the mobility increases with greater GeO x thickness (7.8-20.8 Å). The physical origin of this mobility dependence on GeO x thickness is explored. The following factors are excluded: Coulomb scattering due to interfacial traps at GeO x /Ge, phonon scattering, and surface roughness scattering. Therefore, the RCS from charges in gate stacks is studied. The charge distributions in GeO x /Al2O3 gate stacks are evaluated experimentally. The bulk charges in Al2O3 and GeO x are found to be negligible. The density of the interfacial charge is  +3.2  ×  1012 cm-2 at the GeO x /Ge interface and  -2.3  ×  1012 cm-2 at the Al2O3/GeO x interface. The electric dipole at the Al2O3/GeO x interface is found to be  +0.15 V, which corresponds to an areal charge density of 1.9  ×  1013 cm-2. The origin of this mobility dependence on GeO x thickness is attributed to the RCS due to the electric dipole at the Al2O3/GeO x interface. This remote dipole scattering is found to play a significant role in mobility degradation. The discovery of this new scattering mechanism indicates that the engineering of the Al2O3/GeO x interface is key for mobility enhancement and device performance improvement. These results are helpful for understanding and engineering Ge mobility enhancement.

Unexpected molecular weight effect in polymer nanocomposites

DOE PAGES

Cheng, Shiwang; Holt, Adam P.; Wang, Huiqun; ...

2016-01-22

Here, the properties of the interfacial layer between the polymer matrix and nanoparticles largely determine the macroscopic properties of polymer nanocomposites (PNCs). Although the static thickness of the interfacial layer was found to increase with the molecular weight (MW), the influence of MW on segmental relaxation and the glass transition in this layer remains to be explored. In this Letter, we show an unexpected MW dependence of the interfacial properties in PNC with attractive polymer-nanoparticle interactions: the thickness of the interfacial layer with hindered segmental relaxation decreases as MW increases, in sharp constrast to theoretical predictions. Further analyses reveal amore » reduction in mass density of the interfacial layer with increasing MW, which can explain these unexpected dynamic effects. Our observations call for a significant revision of the current understandings of PNCs and suggest interesting ways to tailor their properties.« less

Tunable Interfacial Thermal Conductance by Molecular Dynamics

NASA Astrophysics Data System (ADS)

Shen, Meng

We study the mechanism of tunable heat transfer through interfaces between solids using a combination of non-equilibrium molecular dynamics simulation (NEMD), vibrational mode analysis and wave packet simulation. We investigate how heat transfer through interfaces is affected by factors including pressure, interfacial modulus, contact area and interfacial layer thickness, with an overreaching goal of developing fundamental knowledge that will allow one to tailor thermal properties of interfacial materials. The role of pressure and interfacial stiffness is unraveled by our studies on an epitaxial interface between two Lennard-Jones (LJ) crystals. The interfacial stiffness is varied by two different methods: (i) indirectly by applying pressure which due to anharmonic nature of bonding, increases interfacial stiffness, and (ii) directly by changing the interfacial bonding strength by varying the depth of the potential well of the LJ potential. When the interfacial bonding strength is low, quantitatively similar behavior to pressure tuning is observed when the interfacial thermal conductance is increased by directly varying the potential-well depth parameter of the LJ potential. By contrast, when the interfacial bonding strength is high, thermal conductance is almost pressure independent, and even slightly decreases with increasing pressure. This decrease can be explained by the change in overlap between the vibrational densities of states of the two crystalline materials. The role of contact area is studied by modeling structures comprised of Van der Waals junctions between single-walled nanotubes (SWCNT). Interfacial thermal conductance between SWCNTs is obtained from NEMD simulation as a function of crossing angle. In this case the junction conductance per unit area is essentially a constant. By contrast, interfacial thermal conductance between multiwalled carbon nanotubes (MWCNTs) is shown to increase with diameter of the nanotubes by recent experimental studies [1]. To elucidate this behavior we studied a simplified model comprised of an interface between two stacks of graphene ribbons to mimic the contact between multiwalled nanotubes. Our results, in agreement with experiment, show that the interfacial thermal conductance indeed increases with the number of graphene layers, corresponding to larger diameter and larger number of walls in MWCNT. The role of interfacial layer thickness is investigated by modeling a system of a few layers of graphene sandwiched between two silicon slabs. We show, by wave packet simulation and by theoretical calculation of a spring-mass model, that the transmission coefficient of individual vibrational modes is strongly dependent on the frequency and the number of graphene layers due to coherent interference effects; by contrast, the interfacial thermal conductance obtained in NEMD simulation, which represents an integral over all phonons, is essentially independent of the number of graphene layers, in agreement with recent experiments. Furthermore, when we heat one atomic layer of graphene directly, the effective interfacial conductance associated with heat dissipation to the silicon substrate is very small. We attribute this to the resistance associated with heat transfer between high and low frequency phonon modes within graphene. Finally, we also replaced graphene layers by a few WSe2 sheets and observed that interfacial thermal resistance of a Si/n-WSe2/Si structure increases linearly with interface thickness at least for 1 < n <= 20, indicating diffusive heat transfer mechanism, in contrast to ballistic behavior of a few graphene layers. The corresponding thermal conductivity (0.048 W m-1 K-1) of a few WSe2 layers is rather small. By comparing phonon dispersion of graphene layers and WSe2 sheets, we attribute the diffusive behavior of a few WSe2 sheets to abundant optical phonons at low and medium frequencies leading to very short mean free path. Our computational studies of effects of pressure and structural properties on interfacial thermal conductance provide fundamental insights for tunable heat transfer in nanostructures. [1] Professor D. Y. Li from University of Vanderbilt, private communication (Nov. 14, 2011).

Predicting the mixed-mode I/II spatial damage propagation along 3D-printed soft interfacial layer via a hyperelastic softening model

NASA Astrophysics Data System (ADS)

Liu, Lei; Li, Yaning

2018-07-01

A methodology was developed to use a hyperelastic softening model to predict the constitutive behavior and the spatial damage propagation of nonlinear materials with damage-induced softening under mixed-mode loading. A user subroutine (ABAQUS/VUMAT) was developed for numerical implementation of the model. 3D-printed wavy soft rubbery interfacial layer was used as a material system to verify and validate the methodology. The Arruda - Boyce hyperelastic model is incorporated with the softening model to capture the nonlinear pre-and post- damage behavior of the interfacial layer under mixed Mode I/II loads. To characterize model parameters of the 3D-printed rubbery interfacial layer, a series of scarf-joint specimens were designed, which enabled systematic variation of stress triaxiality via a single geometric parameter, the slant angle. It was found that the important model parameter m is exponentially related to the stress triaxiality. Compact tension specimens of the sinusoidal wavy interfacial layer with different waviness were designed and fabricated via multi-material 3D printing. Finite element (FE) simulations were conducted to predict the spatial damage propagation of the material within the wavy interfacial layer. Compact tension experiments were performed to verify the model prediction. The results show that the model developed is able to accurately predict the damage propagation of the 3D-printed rubbery interfacial layer under complicated stress-state without pre-defined failure criteria.

Highly efficient organic light-emitting diodes with a quantum dot interfacial layer.

PubMed

Ryu, Seung Yoon; Hwang, Byoung Har; Park, Ki Wan; Hwang, Hyeon Seok; Sung, Jin Woo; Baik, Hong Koo; Lee, Chang Ho; Song, Seung Yong; Lee, Jun Yeob

2009-02-11

Advanced organic light-emitting diodes (OLEDs), based on a multiple structure, were achieved in combination with a quantum dot (QD) interfacial layer. The authors used core/shell CdSe/ZnS QDs passivated with trioctylphosphine oxide (TOPO) and TOPO-free QDs as interlayers. Multiple-structure OLEDs (MOLEDs) with TOPO-free QDs showed higher device efficiency because of a well-defined interfacial monolayer formation. Additionally, the three-unit MOLED showed high performance for device efficiency with double-structured QD interfacial layers due to the enhanced charge balance and recombination probability.

TFB:TPDSi2 interfacial layer usable in organic photovoltaic cells

DOEpatents

Marks, Iobin J [Evanston, IL; Hains, Alexander W [Evanston, IL

2011-02-15

The present invention, in one aspect, relates to a solar cell. In one embodiment, the solar cell includes an anode; an active organic layer comprising an electron-donating organic material and an electron-accepting organic material; and an interfacial layer formed between the anode and active organic layer, where the interfacial layer comprises a hole-transporting polymer characterized with a hole-mobility higher than that of the electron-donating organic material in the active organic layer, and a small molecule that has a high hole-mobility and is capable of crosslinking on contact with air.

Fullerene surfactants and their use in polymer solar cells

DOEpatents

Jen, Kwan-Yue; Yip, Hin-Lap; Li, Chang-Zhi

2015-12-15

Fullerene surfactant compounds useful as interfacial layer in polymer solar cells to enhance solar cell efficiency. Polymer solar cell including a fullerene surfactant-containing interfacial layer intermediate cathode and active layer.

Solution processed ZnO hybrid nanocomposite with tailored work function for improved electron transport layer in organic photovoltaic devices.

PubMed

Lee, Yun-Ju; Wang, Jian; Cheng, Samuel R; Hsu, Julia W P

2013-09-25

We demonstrate improved organic photovoltaic device performance using solution processed electron transport layers of ZnO nanoparticle (NP) films containing organic additives, poly(vinylpyrrolidone) (PVP), or diethanolamine (DEA), that do not require post processing after film deposition. Inclusion of PVP or DEA decreased the ZnO work function by 0.4 eV through interfacial dipole formation. While PVP did not change the ZnO NP shape or size, DEA modified the ZnO shape from 5 nm × 15 nm nanorods to 5 nm nanoparticles. At an optimized PVP concentration of 0.7 wt %, ZnO NP:PVP electron transport layers (ETLs) improved the efficiency of inverted P3HT:PCBM devices by 37%, primarily through higher fill factor. ZnO NP:PVP and ZnO NP:DEA ETLs increased the open circuit voltage of inverted P3HT:ICBA devices by 0.07 V due to decreasing ETL work function, leading to enhanced built-in field. The relationship between ZnO nanocomposite ETL work function, donor-acceptor energy offset, and device performance is discussed. The effects of the two additives are compared.

Smooth Interfacial Scavenging for Resistive Switching Oxide via the Formation of Highly Uniform Layers of Amorphous TaOx.

PubMed

Tsurumaki-Fukuchi, Atsushi; Nakagawa, Ryosuke; Arita, Masashi; Takahashi, Yasuo

2018-02-14

We demonstrate that the inclusion of a Ta interfacial layer is a remarkably effective strategy for forming interfacial oxygen defects at metal/oxide junctions. The insertion of an interfacial layer of a reactive metal, that is, a "scavenging" layer, has been recently proposed as a way to create a high concentration of oxygen defects at an interface in redox-based resistive switching devices, and growing interest has been given to the underlying mechanism. Through structural and chemical analyses of Pt/metal/SrTiO 3 /Pt structures, we reveal that the rate and amount of oxygen scavenging are not directly determined by the formation free energies in the oxidation reactions of the scavenging metal and unveil the important roles of oxygen diffusibility. Active oxygen scavenging and highly uniform oxidation via scavenging are revealed for a Ta interfacial layer with high oxygen diffusibility. In addition, the Ta scavenging layer is shown to exhibit a highly uniform structure and to form a very flat interface with SrTiO 3 , which are advantageous for the fabrication of a steep metal/oxide contact.

Crystalline ZrTiO{sub 4} gated p-metal–oxide–semiconductor field effect transistors with sub-nm equivalent oxide thickness featuring good electrical characteristics and reliability

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

Wu, Chao-Yi; Hsieh, Ching-Heng; Lee, Ching-Wei

2015-02-02

ZrTiO{sub 4} crystallized in orthorhombic (o-) phase was stacked with an amorphous Yb{sub 2}O{sub 3} interfacial layer as the gate dielectric for Si-based p-MOSFETs. With thermal annealing after gate electrode, the gate stack with equivalent oxide thickness (EOT) of 0.82 nm achieves high dielectric quality by showing a low interface trap density (D{sub it}) of 2.75 × 10{sup 11 }cm{sup −2}eV{sup −1} near the midgap and low oxide traps. Crystallization of ZrTiO{sub 4} and post metal annealing are also proven to introduce very limited amount of metal induced gap states or interfacial dipole. The p-MOSFETs exhibit good sub-threshold swing of 75 mV/dec which is ascribedmore » to the low D{sub it} value and small EOT. Owing to the Y{sub 2}O{sub 3} interfacial layer and smooth interface with Si substrate that, respectively, suppress phonon and surface roughness scattering, the p-MOSFETs also display high hole mobility of 49 cm{sup 2}/V-s at 1 MV/cm. In addition, I{sub on}/I{sub off} ratio larger than 10{sup 6} is also observed. From the reliability evaluation by negative bias temperature instability test, after stressing with an electric field of −10 MV/cm at 85 °C for 1000 s, satisfactory threshold voltage shift of 12 mV and sub-threshold swing degradation of 3% were obtained. With these promising characteristics, the Yb{sub 2}O{sub 3}/o-ZrTiO{sub 4} gate stack holds the great potential for next-generation electronics.« less

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.

Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

PubMed

Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

2014-07-16

The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

p-Type semiconducting nickel oxide as an efficiency-enhancing anode interfacial layer in polymer bulk-heterojunction solar cells

PubMed Central

Irwin, Michael D.; Buchholz, D. Bruce; Hains, Alexander W.; Chang, Robert P. H.; Marks, Tobin J.

2008-01-01

To minimize interfacial power losses, thin (5–80 nm) layers of NiO, a p-type oxide semiconductor, are inserted between the active organic layer, poly(3-hexylthiophene) (P3HT) + [6,6]-phenyl-C61 butyric acid methyl ester (PCBM), and the ITO (tin-doped indium oxide) anode of bulk-heterojunction ITO/P3HT:PCBM/LiF/Al solar cells. The interfacial NiO layer is deposited by pulsed laser deposition directly onto cleaned ITO, and the active layer is subsequently deposited by spin-coating. Insertion of the NiO layer affords cell power conversion efficiencies as high as 5.2% and enhances the fill factor to 69% and the open-circuit voltage (Voc) to 638 mV versus an ITO/P3HT:PCBM/LiF/Al control device. The value of such hole-transporting/electron-blocking interfacial layers is clearly demonstrated and should be applicable to other organic photovoltaics.

New insights into the Mo/Cu(In,Ga)Se2 interface in thin film solar cells: Formation and properties of the MoSe2 interfacial layer.

PubMed

Klinkert, T; Theys, B; Patriarche, G; Jubault, M; Donsanti, F; Guillemoles, J-F; Lincot, D

2016-10-21

Being at the origin of an ohmic contact, the MoSe 2 interfacial layer at the Mo/Cu(In,Ga)Se 2 interface in CIGS (Cu(In,Ga)Se 2 and related compounds) based solar cells has allowed for very high light-to-electricity conversion efficiencies up to 22.3%. This article gives new insights into the formation and the structural properties of this interfacial layer. Different selenization-steps of a Mo covered glass substrate prior to the CIGS deposition by co-evaporation led to MoSe 2 interfacial layers with varying thickness and orientation, as observed by x-ray diffraction and atomic resolution transmission electron microscopy. A novel model based on the anisotropy of the Se diffusion coefficient in MoSe 2 is proposed to explain the results. While the series resistance of finished CIGS solar cells is found to correlate with the MoSe 2 orientation, the adhesion forces between the CIGS absorber layer and the Mo substrate stay constant. Their counter-intuitive non-correlation with the configuration of the MoSe 2 interfacial layer is discussed and related to work from the literature.

Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation

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

Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

2015-06-01

In the first part of this paper, a Scanning Electron Microscopy and contact angle study of a pyrite surface (100) is reported describing the relationship between surface oxidation and the hydrophilic surface state. In addition to these experimental results, the following simulated surface states were examined using Molecular Dynamics Simulation (MDS): fresh unoxidized (100) surface; polysulfide at the (100) surface; elemental sulfur at the (100) surface. Crystal structures for the polysulfide and elemental sulfur at the (100) surface were simulated using Density Functional Theory (DFT) quantum chemical calculations. The well known oxidation mechanism which involves formation of a metal deficientmore » layer was also described with DFT. Our MDS results of the behavior of interfacial water at the fresh and oxidized pyrite (100) surfaces without/with the presence of ferric hydroxide include simulated contact angles, number density distribution for water, water dipole orientation, water residence time, and hydrogen-bonding considerations. The significance of the formation of ferric hydroxide islands in accounting for the corresponding hydrophilic surface state is revealed not only from experimental contact angle measurements but also from simulated contact angle measurements using MDS. The hydrophilic surface state developed at oxidized pyrite surfaces has been described by MDS, on which basis the surface state is explained based on interfacial water structure. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE funded work performed by Liem X. Dang. Battelle operates the Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.« less

The hydration structure at yttria-stabilized cubic zirconia (110)-water interface with sub-Ångström resolution

DOE PAGES

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; ...

2016-06-15

The interfacial hydration structure of yttria-stabilized cubic zirconia (110) surface in contact with water was determined with ~0.5 Å resolution by high-resolution X-ray reflectivity measurement. The terminal layer shows a reduced electron density compared to the following substrate lattice layers, which indicates there are additional defects generated by metal depletion as well as intrinsic oxygen vacancies, both of which are apparently filled by water species. Above this top surface layer, two additional adsorbed layers are observed forming a characteristic interfacial hydration structure. The first adsorbed layer shows abnormally high density as pure water and likely includes metal species, whereas themore » second layer consists of pure water. The observed interfacial hydration structure seems responsible for local equilibration of the defective surface in water and eventually regulating the long-term degradation processes. As a result, the multitude of water interactions with the zirconia surface results in the complex but highly ordered interfacial structure constituting the reaction front.« less

Energy level alignment at the methylammonium lead iodide/copper phthalocyanine interface

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

Chen, Shi; Goh, Teck Wee; Sum, Tze Chien, E-mail: Alfred@ntu.edu.sg, E-mail: Tzechien@ntu.edu.sg

2014-08-01

The energy level alignment at the CH{sub 3}NH{sub 3}PbI{sub 3}/copper phthalocyanine (CuPc) interface is investigated by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). XPS reveal a 0.3 eV downward band bending in the CuPc film. UPS validate this finding and further reveal negligible interfacial dipole formation – verifying the viability of vacuum level alignment. The highest occupied molecular orbital of CuPc is found to be closer to the Fermi level than the valance band maximum of CH{sub 3}NH{sub 3}PbI{sub 3}, facilitating hole transfer from CH{sub 3}NH{sub 3}PbI{sub 3} to CuPc. However, subsequent hole extraction from CuPc may bemore » impeded by the downward band bending in the CuPc layer.« less

Effects of Alternating Hydrogenated and Protonated Segments in polymers on their Wettability.

NASA Astrophysics Data System (ADS)

Smith, Dennis; Traiphol, Rakchart; Cheng, Gang; Perahia, Dvora

2003-03-01

Polymers consisting of alternating hydrogenated and fluorinated segments exhibit unique interfacial characteristics governed by the components that dominate the interface. Presence of fluorine reduces the interfacial energy and is expected to decrease the adhesion to the polymer surface. Thin liquid crystalline (LC) layers of 4,4?-octyl-cyanobiphenyl, cast on top of a polymeric layer consisting of alternating methylstylbine protonated segments bridged by a fluorinated group was used as a mechanistic tool to study of interfacial effects on three parameters: wetting, interfacial alignment and surface induces structures. The liquid crystal cast on a low interfacial energy fluorinated polymeric film exhibits bulk homeotropic alignment as expected. However it fully wetted the polymer surface despite the incompatibility of the protonated LC and mainly fluorinated polymer interface. Further more, it was found to stabilize the interfacial Semitic layers to a higher temperature and induce different surface ordering that was not observed at the same temperature neither in the bulk nor at the interfaces with silicon or glass surface. These results indicate that the interfacial interactions of polymers with liquid crystals are a complex function of both surface energies and the interfacial structure of the polymer.

Experimental observation of standing interfacial waves induced by surface waves in muddy water

NASA Astrophysics Data System (ADS)

Maxeiner, Eric; Dalrymple, Robert A.

2011-09-01

A striking feature has been observed in a laboratory wave tank with a thin layer of clear water overlying a layer of mud. A piston-type wave maker is used to generate long monochromatic surface waves in a tank with a layer of kaolinite clay at the bottom. The wave action on the mud causes the clay particles to rise from the bottom into the water column, forming a lutocline. As the lutocline approaches the water surface, a set of standing interfacial waves form on the lutocline. The interfacial wave directions are oriented nearly orthogonal to the surface wave direction. The interfacial waves, which sometimes cover the entire length and width of the tank, are also temporally subharmonic as the phase of the interfacial wave alternates with each passing surface wave crest. These interfacial waves are the result of a resonant three-wave interaction involving the surface wave train and the two interfacial wave trains. The interfacial waves are only present when the lutocline is about 3 cm of the water surface and they can be sufficiently nonlinear as to exhibit superharmonics and a breaking-type of instability.

Effect of TiO 2 particle size and layer thickness on mesoscopic perovskite solar cells

DOE PAGES

Lee, Dong Geon; Kim, Min-cheol; Kim, Byeong Jo; ...

2017-11-16

Mesoporous TiO 2 (mp-TiO 2) layers are commonly used as electron transport layers in perovskite solar cells, which help to extract electrons from the perovskite light-absorbing layer and transport them to the electrodes. We investigated the effects of the layer thickness of mp-TiO 2 and particle size of TiO 2 on photovoltaic properties, in terms of the surface area of the mp-layer and the interfacial areas of the TiO 2 nanoparticles in the mp-layer. Various mp-TiO 2 layers with thicknesses of 150, 250, and 400 nm and particle sizes of 25 nm and 41 nm were prepared to compare themore » photovoltaic properties of such layer-containing perovskite solar cells. Time-resolved photoluminescence decay and impedance studies showed that interfacial resistance as well as perovskite-to-TiO 2 charge injection are important factors affecting photovoltaic performance. The deterioration of the photovoltaic parameters with increasing TiO 2/TiO 2 interfacial area also confirms that the interfacial series resistance that arises from these connections should be reduced to enhance the performance of mesoscopic perovskite solar cells.« less

Effect of TiO 2 particle size and layer thickness on mesoscopic perovskite solar cells

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

Lee, Dong Geon; Kim, Min-cheol; Kim, Byeong Jo

Mesoporous TiO 2 (mp-TiO 2) layers are commonly used as electron transport layers in perovskite solar cells, which help to extract electrons from the perovskite light-absorbing layer and transport them to the electrodes. We investigated the effects of the layer thickness of mp-TiO 2 and particle size of TiO 2 on photovoltaic properties, in terms of the surface area of the mp-layer and the interfacial areas of the TiO 2 nanoparticles in the mp-layer. Various mp-TiO 2 layers with thicknesses of 150, 250, and 400 nm and particle sizes of 25 nm and 41 nm were prepared to compare themore » photovoltaic properties of such layer-containing perovskite solar cells. Time-resolved photoluminescence decay and impedance studies showed that interfacial resistance as well as perovskite-to-TiO 2 charge injection are important factors affecting photovoltaic performance. The deterioration of the photovoltaic parameters with increasing TiO 2/TiO 2 interfacial area also confirms that the interfacial series resistance that arises from these connections should be reduced to enhance the performance of mesoscopic perovskite solar cells.« less

Highly improved passivation of c-Si surfaces using a gradient i a-Si:H layer

NASA Astrophysics Data System (ADS)

Lee, Soonil; Ahn, Jaehyun; Mathew, Leo; Rao, Rajesh; Zhang, Zhongjian; Kim, Jae Hyun; Banerjee, Sanjay K.; Yu, Edward T.

2018-04-01

Surface passivation using intrinsic a-Si:H (i a-Si:H) films plays a key role in high efficiency c-Si heterojunction solar cells. In this study, we demonstrate improved passivation quality using i a-Si:H films with a gradient-layered structure consisting of interfacial, transition, and capping layers deposited on c-Si surfaces. The H2 dilution ratio (R) during deposition was optimized individually for the interfacial and capping layers, which were separated by a transition layer for which R changed gradually between its values for the interfacial and capping layers. This approach yielded a significant reduction in surface carrier recombination, resulting in improvement of the minority carrier lifetime from 1480 μs for mono-layered i a-Si:H passivation to 2550 μs for the gradient-layered passivation approach.

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules

DOE PAGES

Yu, Hua-Gen

2015-01-28

We report a rigorous full dimensional quantum dynamics algorithm, the multi-layer Lanczos method, for computing vibrational energies and dipole transition intensities of polyatomic molecules without any dynamics approximation. The multi-layer Lanczos method is developed by using a few advanced techniques including the guided spectral transform Lanczos method, multi-layer Lanczos iteration approach, recursive residue generation method, and dipole-wavefunction contraction. The quantum molecular Hamiltonian at the total angular momentum J = 0 is represented in a set of orthogonal polyspherical coordinates so that the large amplitude motions of vibrations are naturally described. In particular, the algorithm is general and problem-independent. An applicationmore » is illustrated by calculating the infrared vibrational dipole transition spectrum of CH₄ based on the ab initio T8 potential energy surface of Schwenke and Partridge and the low-order truncated ab initio dipole moment surfaces of Yurchenko and co-workers. A comparison with experiments is made. The algorithm is also applicable for Raman polarizability active spectra.« less

Voltage-dependent cluster expansion for electrified solid-liquid interfaces: Application to the electrochemical deposition of transition metals

NASA Astrophysics Data System (ADS)

Weitzner, Stephen E.; Dabo, Ismaila

2017-11-01

The detailed atomistic modeling of electrochemically deposited metal monolayers is challenging due to the complex structure of the metal-solution interface and the critical effects of surface electrification during electrode polarization. Accurate models of interfacial electrochemical equilibria are further challenged by the need to include entropic effects to obtain accurate surface chemical potentials. We present an embedded quantum-continuum model of the interfacial environment that addresses each of these challenges and study the underpotential deposition of silver on the gold (100) surface. We leverage these results to parametrize a cluster expansion of the electrified interface and show through grand canonical Monte Carlo calculations the crucial need to account for variations in the interfacial dipole when modeling electrodeposited metals under finite-temperature electrochemical conditions.

String-like collective motion and diffusion in the interfacial region of ice

NASA Astrophysics Data System (ADS)

Wang, Xinyi; Tong, Xuhang; Zhang, Hao; Douglas, Jack F.

2017-11-01

We investigate collective molecular motion and the self-diffusion coefficient Ds of water molecules in the mobile interfacial layer of the secondary prismatic plane (11 2 ¯ 0 ) of hexagonal ice by molecular dynamics simulation based on the TIP4P/2005 water potential and a metrology of collective motion drawn from the field of glass-forming liquids. The width ξ of the mobile interfacial layer varies from a monolayer to a few nm as the temperature is increased towards the melting temperature Tm, in accordance with recent simulations and many experimental studies, although different experimental methods have differed in their precise estimates of the thickness of this layer. We also find that the dynamics within this mobile interfacial ice layer is "dynamically heterogeneous" in a fashion that has many features in common with glass-forming liquids and the interfacial dynamics of crystalline Ni over the same reduced temperature range, 2/3 < T/Tm < 1. In addition to exhibiting non-Gaussian diffusive transport, decoupling between mass diffusion and the structural relaxation time, and stretched exponential relaxation, we find string-like collective molecular exchange motion in the interfacial zone within the ice interfacial layer and colored noise fluctuations in the mean square molecular atomic displacement 〈u2〉 after a "caging time" of 1 ps, i.e., the Debye-Waller factor. However, while the heterogeneous dynamics of ice is clearly similar in many ways to molecular and colloidal glass-forming materials, we find distinct trends between the diffusion coefficient activation energy Ea for diffusion Ds and the interfacial width ξ from the scale of collective string-like motion L than those found in glass-forming liquids.

Engineering interfacial properties of organic semiconductors through soft-contact lamination and surface functionalization

NASA Astrophysics Data System (ADS)

Shu, Andrew Leo

Organic electronics is a topic of interest due to its potential for low temperature and solution processing for large area and flexible applications. Examples of organic electronic devices are already available on the market; however these are, in general, still rather expensive. In order to fully realize inexpensive and efficient organic electronics, the properties of organic films need to be understood and strategies developed to take advantage of these properties to improve device performance. This work focuses on two strategies that can be used to control charge transport at interfaces with active organic semiconducting thin films. These strategies are studied and verified with a range of photoemission spectroscopy, surface probe microscopy, and electrical measurements. Vacuum evaporated molecular organic devices have long used layer stacking of different materials as a method of dividing roles in a device and modifying energy level alignment to improve device performance and efficiency. Applying this type of architecture for solution-processed devices, on the other hand, is nontrivial, as an issue of removal of or mixing with underlying layers arises. We present and examine here soft-contact lamination as a viable technique for depositing solution-processed multilayer structures. The energetics at homojunctions of a couple of air-stable polymers is investigated. Charge transport is then compared between a two-layer film and a single-layer film of equivalent thicknesses. The interface formed by soft-contact lamination is found to be transparent with respect to electronic charge carriers. We also propose a technique for modifying electronic level alignment at active organic-organic heterojunctions using dipolar self-assembled monolayers (SAM). An ultra-thin metal oxide is first deposited via a gentle low temperature chemical vapor deposition as an adhesion layer for the SAM. The deposition is shown to be successful for a variety of organic films. A series of phenylphosphonic acid SAM molecules with various molecular dipoles is then used to functionalize the surface of an organic film and found to modify the work function depending on the molecular dipole across the molecule. This in turn is found to modify the energy level alignment between the underlying organic film with an organic film deposited on top.

Impact of Interfacial Layers in Perovskite Solar Cells.

PubMed

Cho, An-Na; Park, Nam-Gyu

2017-10-09

Perovskite solar cells (PCSs) are composed of organic-inorganic lead halide perovskite as the light harvester. Since the first report on a long-term-durable, 9.7 % efficient, solid-state perovskite solar cell, organic-inorganic halide perovskites have received considerable attention because of their excellent optoelectronic properties. As a result, a power conversion efficiency (PCE) exceeding 22 % was certified. Controlling the grain size, grain boundary, morphology, and defects of the perovskite layer is important for achieving high efficiency. In addition, interfacial engineering is equally or more important to further improve the PCE through better charge collection and a reduction in charge recombination. In this Review, the type of interfacial layers and their impact on photovoltaic performance are investigated for both the normal and the inverted cell architectures. Four different interfaces of fluorine-doped tin oxide (FTO)/electron-transport layer (ETL), ETL/perovskite, perovskite/hole-transport layer (HTL), and HTL/metal are classified, and their roles are investigated. The effects of interfacial engineering with organic or inorganic materials on photovoltaic performance are described in detail. Grain-boundary engineering is also included because it is related to interfacial engineering and the grain boundary in the perovskite layer plays an important role in charge conduction, recombination, and chargecarrier life time. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of bioadhesive on the interfacial compatibility and pervaporation performance of composite membranes by MD and GCMC simulation.

PubMed

Wang, Baohe; Nie, Yan; Ma, Jing

2018-03-01

Combing molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulation, the effect of bioadhesive transition layer on the interfacial compatibility of the pervaporation composite membranes, and the pervaporation performance toward penetrant molecules were investigated. In our previous experimental study, the structural stability and permeability selectivity of the composite membranes were considerably enhanced by the introduction of bioadhesive carbopol (CP). In the present study, the interfacial compatibility and the interfacial energies between the chitosan (CS) separation layer, CP transition layer and the support layer were investigated, respectively. The mobility of polymer chains, free volume in bulk and interface regions were evaluated by the mean-square displacement (MSD) and free volume voids (FFV) analysis. The diffusion and sorption behavior of water/ethanol molecules in bulk and interface regions were characterized. The simulation results of membrane structure have good consistency, indicating that the introduction of CP transition layer improved the interfacial compatibility and interaction between the separation layer and the support layer. Comparing the bulk region of the separation layer, the mobility and free volume of the polymer chain in the interface region decreased and thus reduced the swelling of CS active layer, revealing the increased diffusion selectivity toward the permeated water and ethanol molecules. The strong hydrogen bonds interaction between the COOH of the CP transition layer and water molecules increased the adsorption of water molecules in the interface region. The simulation results were quite consistent with the experimental results. Copyright © 2018 Elsevier Inc. All rights reserved.

Blocking Gastric Lipase Adsorption and Displacement Processes with Viscoelastic Biopolymer Adsorption Layers.

PubMed

Scheuble, Nathalie; Lussi, Micha; Geue, Thomas; Carrière, Frédéric; Fischer, Peter

2016-10-10

Delayed fat digestion might help to fight obesity. Fat digestion begins in the stomach by adsorption of gastric lipases to oil/water interfaces. In this study we show how biopolymer covered interfaces can act as a physical barrier for recombinant dog gastric lipase (rDGL) adsorption and thus gastric lipolysis. We used β-lactoglobulin (β-lg) and thermosensitive methylated nanocrystalline cellulose (metNCC) as model biopolymers to investigate the role of interfacial fluid dynamics and morphology for interfacial displacement processes by rDGL and polysorbate 20 (P20) under gastric conditions. Moreover, the influence of the combination of the flexible β-lg and the elastic metNCC was studied. The interfaces were investigated combining interfacial techniques, such as pendant drop, interfacial shear and dilatational rheology, and neutron reflectometry. Displacement of biopolymer layers depended mainly on the fluid dynamics and thickness of the layers, both of which were drastically increased by the thermal induced gelation of metNCC at body temperature. Soft, thin β-lg interfaces were almost fully displaced from the interface, whereas the composite β-lg-metNCC layer thermogelled to a thick interfacial layer incorporating β-lg as filler material and therefore resisted higher shear forces than a pure metNCC layer. Hence, with metNCC alone lipolysis by rDGL was inhibited, whereas the layer performance could be increased by the combination with β-lg.

Energy level shifts at the silica/Ru(0001) heterojunction driven by surface and interface dipoles

DOE PAGES

Wang, Mengen; Zhong, Jian -Qiang; Kestell, John; ...

2016-09-12

Charge redistribution at heterogeneous interfaces is a fundamental aspect of surface chemistry. Manipulating the amount of charges and the magnitude of dipole moments at the interface in a controlled way has attracted tremendous attention for its potential to modify the activity of heterogeneous catalysts in catalyst design. Two-dimensional ultrathin silica films with well-defined atomic structures have been recently synthesized and proposed as model systems for heterogeneous catalysts studies. R. Wlodarczyk et al. (Phys. Rev. B, 85, 085403 (2012)) have demonstrated that the electronic structure of silica/Ru(0001) can be reversibly tuned by changing the amount of interfacial chemisorbed oxygen. Here wemore » carried out systematic investigations to understand the underlying mechanism through which the electronic structure at the silica/Ru(0001) interface can be tuned. As corroborated by both in situ X-ray photoelectron spectroscopy and density functional theory calculations, the observed interface energy level alignments strongly depend on the surface and interfacial charge transfer induced dipoles at the silica/Ru(0001) heterojunction. These observations may help to understand variations in catalytic performance of the model system from the viewpoint of the electronic properties at the confined space between the silica bilayer and the Ru(0001) surface. As a result, the same behavior is observed for the aluminosilicate bilayer, which has been previously proposed as a model system for zeolites.« less

Influence of charged defects on the interfacial bonding strength of tantalum- and silver-doped nanograined TiO2.

PubMed

Azadmanjiri, Jalal; Wang, James; Berndt, Christopher C; Kapoor, Ajay; Zhu, De Ming; Ang, Andrew S M; Srivastava, Vijay K

2017-05-17

A nano-grained layer including line defects was formed on the surface of a Ti alloy (Ti alloy , Ti-6Al-4V ELI). Then, the micro- and nano-grained Ti alloy with the formation of TiO 2 on its top surface was coated with a bioactive Ta layer with or without incorporating an antibacterial agent of Ag that was manufactured by magnetron sputtering. Subsequently, the influence of the charged defects (the defects that can be electrically charged on the surface) on the interfacial bonding strength and hardness of the surface system was studied via an electronic model. Thereby, material systems of (i) Ta coated micro-grained titanium alloy (Ta/MGTi alloy ), (ii) Ta coated nano-grained titanium alloy (Ta/NGTi alloy ), (iii) TaAg coated micro-grained titanium alloy (TaAg/MGTi alloy ) and (iv) TaAg coated nano-grained titanium alloy (TaAg/NGTi alloy ) were formed. X-ray photoelectron spectroscopy was used to probe the electronic structure of the micro- and nano-grained Ti alloy , and so-formed heterostructures. The thin film/substrate interfaces exhibited different satellite peak intensities. The satellite peak intensity may be related to the interfacial bonding strength and hardness of the surface system. The interfacial layer of TaAg/NGTi alloy exhibited the highest satellite intensity and maximum hardness value. The increased bonding strength and hardness in the TaAg/NGTi alloy arises due to the negative core charge of the dislocations and neighbor space charge accumulation, as well as electron accumulation in the created semiconductor phases of larger band gap at the interfacial layer. These two factors generate interfacial polarization and enhance the satellite intensity. Consequently, the interfacial bonding strength and hardness of the surface system are improved by the formation of mixed covalent-ionic bonding structures around the dislocation core area and the interfacial layer. The bonding strength relationship by in situ XPS on the metal/TiO 2 interfacial layer may be examined with other noble metals and applied in diverse fields.

GaN as an interfacial passivation layer: tuning band offset and removing fermi level pinning for III-V MOS devices.

PubMed

Zhang, Zhaofu; Cao, Ruyue; Wang, Changhong; Li, Hao-Bo; Dong, Hong; Wang, Wei-Hua; Lu, Feng; Cheng, Yahui; Xie, Xinjian; Liu, Hui; Cho, Kyeongjae; Wallace, Robert; Wang, Weichao

2015-03-11

The use of an interfacial passivation layer is one important strategy for achieving a high quality interface between high-k and III-V materials integrated into high-mobility metal-oxide-semiconductor field-effect transistor (MOSFET) devices. Here, we propose gallium nitride (GaN) as the interfacial layer between III-V materials and hafnium oxide (HfO2). Utilizing first-principles calculations, we explore the structural and electronic properties of the GaN/HfO2 interface with respect to the interfacial oxygen contents. In the O-rich condition, an O8 interface (eight oxygen atoms at the interface, corresponding to 100% oxygen concentration) displays the most stability. By reducing the interfacial O concentration from 100 to 25%, we find that the interface formation energy increases; when sublayer oxygen vacancies exist, the interface becomes even less stable compared with O8. The band offset is also observed to be highly dependent on the interfacial oxygen concentration. Further analysis of the electronic structure shows that no interface states are present at the O8 interface. These findings indicate that the O8 interface serves as a promising candidate for high quality III-V MOS devices. Moreover, interfacial states are present when such interfacial oxygen is partially removed. The interface states, leading to Fermi level pinning, originate from unsaturated interfacial Ga atoms.

Molecular dynamics studies of interfacial water at the alumina surface.

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

Argyris, Dr. Dimitrios; Ho, Thomas; Cole, David

2011-01-01

Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated alumina surfaces were considered to assess the structural and dynamic behavior of the first few hydration layers in contact with the substrates. Density profiles suggest water layering up to {approx}10 {angstrom} from the solid substrate. Planar density distribution data indicate that water molecules in the first interfacial layer are organized in well-defined patterns dictated by the atomic terminations of the alumina surface. Interfacial water exhibits preferential orientation and delayed dynamics compared to bulk water. Water exhibits bulk-like behavior atmore » distances greater than {approx}10 {angstrom} from the substrate. The formation of an extended hydrogen bond network within the first few hydration layers illustrates the significance of water?water interactions on the structural properties at the interface.« less

Analysis of Interface Properties of Hybrid Pre-stressed Strengthening RC Beams with Crack

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

Xie Zhihong; Huang Peiyan; Guo Yongchang

2010-05-21

A finite element (FE) analysis model of interface layer is established for the pre-stressed CFS-GFS hybrid strengthened beams. An elastic solution for the interfacial stress in the adhesive layer of the retrofitted beams is developed as well. The analytical results were compared with the FE results of interfacial stresses in the beams with different thickness of the adhesive and the fibre sheet. Different heights of Cracks in the interfacial layer of the concrete beam are considered in FE Model. Analysis results show the strengthening pattern is of excellent interface performance and the strength of the fiber sheet can be effectivelymore » utilized. The results also indicate the shear and normal stresses in the interfacial layer of the concrete beam release at the locations of the cracks and reach the maximal value before the concrete cracked. The shear and normal stresses in the adhesive layer increase abruptly, and the cracks in the adhesive layer then appear. The axial stresses of hybrid fiber sheet near the cracks decrease locally at the sites of the concrete cracks.« less

Insight into the electrical properties and chain conformation of spherical polyelectrolyte brushes by dielectric spectroscopy

NASA Astrophysics Data System (ADS)

Guo, Xiaoxia; Zhao, Kongshuang

2017-02-01

We report here a dielectric study on three kinds of anionic spherical polyelectrolyte brush (SPBs, consisting of a polystyrene (PS) core and three different poly (acrylic acid) chains grafted onto the core) suspensions over a frequency ranging from 40 Hz to 110 MHz. The relaxation behavior of the SPB suspensions shows significant changes in the brush-layer properties when the mass fraction of SPBs and the pH of the suspensions change. Two definite relaxations related to the interfacial polarization are observed around 100 kHz and 10 MHz. A single-layer spherical-shell model is applied to describe the SPB suspensions wherein the suspended SPB is modeled as a spherical-shell composite particle in which an insulated PS sphere is surrounded by a conducting ion-permeable shell (the polyelectrolyte chain layer). We developed the curve-fitting procedure to analyze the dielectric spectrum in order to obtain the dielectric properties of the components of the SPBs, especially the properties of the polyelectrolyte brush. Based on this method and model, the permittivity and conductivity of the brush layer, ζ potential, etc are calculated. The ordered orientation of the water molecules in the layer leads to an additional electrical dipole moment; increasing pH causes the brush layer to swell. In addition, the repulsive force between the SPB particles are evaluated using the brush-layer thickness, which is obtained by fitting dielectric spectra, combined with relative theoretical formulas. Increasing PH values or SPB concentration would improve the stability of the SPBs dispersion.

Effects of Interfacial Fluorination on Performance Enhancement of High-k-Based Charge Trap Flash Memory

NASA Astrophysics Data System (ADS)

Wang, Chenjie; Huo, Zongliang; Liu, Ziyu; Liu, Yu; Cui, Yanxiang; Wang, Yumei; Li, Fanghua; Liu, Ming

2013-07-01

The effects of interfacial fluorination on the metal/Al2O3/HfO2/SiO2/Si (MAHOS) memory structure have been investigated. By comparing MAHOS memories with and without interfacial fluorination, it was identified that the deterioration of the performance and reliability of MAHOS memories is mainly due to the formation of an interfacial layer that generates excess oxygen vacancies at the interface. Interfacial fluorination suppresses the growth of the interfacial layer, which is confirmed by X-ray photoelectron spectroscopy depth profile analysis, increases enhanced program/erase efficiency, and improves data retention characteristics. Moreover, it was observed that fluorination at the SiO-HfO interface achieves a more effective performance enhancement than that at the HfO-AlO interface.

Iridium Interfacial Stack (IRIS)

NASA Technical Reports Server (NTRS)

Spry, David James (Inventor)

2015-01-01

An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

Optimization of residual stresses in MMC's through the variation of interfacial layer architectures and processing parameters

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Salzar, Robert S.

1996-01-01

The objective of this work was the development of efficient, user-friendly computer codes for optimizing fabrication-induced residual stresses in metal matrix composites through the use of homogeneous and heterogeneous interfacial layer architectures and processing parameter variation. To satisfy this objective, three major computer codes have been developed and delivered to the NASA-Lewis Research Center, namely MCCM, OPTCOMP, and OPTCOMP2. MCCM is a general research-oriented code for investigating the effects of microstructural details, such as layered morphology of SCS-6 SiC fibers and multiple homogeneous interfacial layers, on the inelastic response of unidirectional metal matrix composites under axisymmetric thermomechanical loading. OPTCOMP and OPTCOMP2 combine the major analysis module resident in MCCM with a commercially-available optimization algorithm and are driven by user-friendly interfaces which facilitate input data construction and program execution. OPTCOMP enables the user to identify those dimensions, geometric arrangements and thermoelastoplastic properties of homogeneous interfacial layers that minimize thermal residual stresses for the specified set of constraints. OPTCOMP2 provides additional flexibility in the residual stress optimization through variation of the processing parameters (time, temperature, external pressure and axial load) as well as the microstructure of the interfacial region which is treated as a heterogeneous two-phase composite. Overviews of the capabilities of these codes are provided together with a summary of results that addresses the effects of various microstructural details of the fiber, interfacial layers and matrix region on the optimization of fabrication-induced residual stresses in metal matrix composites.

Controlling band alignments by artificial interface dipoles at perovskite heterointerfaces

DOE PAGES

Yajima, Takeaki; Hikita, Yasuyuki; Minohara, Makoto; ...

2015-04-07

The concept ‘the interface is the device' is embodied in a wide variety of interfacial electronic phenomena and associated applications in oxide materials, ranging from catalysts and clean energy systems to emerging multifunctional devices. Many device properties are defined by the band alignment, which is often influenced by interface dipoles. On the other hand, the ability to purposefully create and control interface dipoles is a relatively unexplored degree of freedom for perovskite oxides, which should be particularly effective for such ionic materials. Here we demonstrate tuning the band alignment in perovskite metal-semiconductor heterojunctions over a broad range of 1.7 eV.more » This is achieved by the insertion of positive or negative charges at the interface, and the resultant dipole formed by the induced screening charge. This approach can be broadly used in applications where decoupling the band alignment from the constituent work functions and electron affinities can enhance device functionality.« less

Dipole-induced exchange bias.

PubMed

Torres, Felipe; Morales, Rafael; Schuller, Ivan K; Kiwi, Miguel

2017-11-09

The discovery of dipole-induced exchange bias (EB), switching from negative to positive sign, is reported in systems where the antiferromagnet and the ferromagnet are separated by a paramagnetic spacer (AFM-PM-FM). The magnitude and sign of the EB is determined by the cooling field strength and the PM thickness. The same cooling field yields negative EB for thin spacers, and positive EB for thicker ones. The EB decay profile as a function of the spacer thickness, and the change of sign, are attributed to long-ranged dipole coupling. Our model, which accounts quantitatively for the experimental results, ignores the short range interfacial exchange interactions of the usual EB theories. Instead, it retains solely the long range dipole field that allows for the coupling of the FM and AFM across the PM spacer. The experiments allow for novel switching capabilities of long range EB systems, while the theory allows description of the structures where the FM and AFM are not in atomic contact. The results provide a new approach to design novel interacting heterostructures.

Study of switching behavior of exchange-coupled nanomagnets by transverse magnetization metrology

NASA Astrophysics Data System (ADS)

Dey, Himadri S.; Csaba, Gyorgy; Bernstein, Gary H.; Porod, Wolfgang

2017-05-01

We investigate the static switching modes of nanomagnets patterned from antiferromagnetically exchange-coupled magnetic multilayers, and compare them to nanomagnets having only dipole coupling between the ferromagnetic layers. Vibrating sample magnetometry experiments, supported by micromagnetic simulations, reveal two distinct switching mechanisms between the exchange-coupled and only dipole-coupled nanomagnets. The exchange-coupled nanomagnets exhibit gradual switching of the layers, dictated by the strong antiferromagnetic exchange coupling present between the layers. However, the layers of the only dipole-coupled nanomagnets show abrupt nucleation/growth type switching. A comprehensive understanding of the switching modes of such layered and patterned systems can add new insight into the reversal mechanisms of similar systems employed for spintronic and magneto-logic device applications.

The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

DOE PAGES

Wang, Han; Bang, Junhyeok; Sun, Yiyang; ...

2016-05-10

Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface. Application to the MoS2/WS2 heterostructure yields good agreement with experiments, indicating near complete charge transfer within a timescale of 100 fs.« less

The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures

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

Wang, Han; Bang, Junhyeok; Sun, Yiyang

Here, the success of van der Waals (vdW) heterostructures, made of graphene, metal dichalcogenides, and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that vdW heterostructues can exhibit ultra-fast charge transfer despite the weak binding of the heterostructure. Using time-dependent density functional theory molecular dynamics, we identify a strong dynamic coupling between the vdW layers associated with charge transfer. This dynamic coupling results in rapid nonlinear coherentmore » charge oscillations which constitute a purely electronic phenomenon and are shown to be a general feature of vdW heterostructures provided they have a critical minimum dipole coupling. Application to MoS2/WS2 heterostructure yields good agreement with experiment, indicating near complete charge transfer within a timescale of 100 fs.The success of van der Waals heterostructures made of graphene, metal dichalcogenides and other layered materials, hinges on the understanding of charge transfer across the interface as the foundation for new device concepts and applications. In contrast to conventional heterostructures, where a strong interfacial coupling is essential to charge transfer, recent experimental findings indicate that van der Waals heterostructues can exhibit ultrafast charge transfer despite the weak binding of these heterostructures. Here we find, using time-dependent density functional theory molecular dynamics, that the collective motion of excitons at the interface leads to plasma oscillations associated with optical excitation. By constructing a simple model of the van der Waals heterostructure, we show that there exists an unexpected criticality of the oscillations, yielding rapid charge transfer across the interface. Application to the MoS2/WS2 heterostructure yields good agreement with experiments, indicating near complete charge transfer within a timescale of 100 fs.« less

Tuning the dead-layer behavior of La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/SrTiO{sub 3} via interfacial engineering

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

Peng, R.; Xu, H. C.; Xia, M.

The dead-layer behavior, deterioration of the bulk properties in near-interface layers, restricts the applications of many oxide heterostructures. We present the systematic study of the dead-layer in La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/SrTiO{sub 3} grown by ozone-assisted molecular beam epitaxy. Dead-layer behavior is systematically tuned by varying the interfacial doping, while unchanged with varied doping at any other atomic layers. In situ photoemission and low energy electron diffraction measurements suggest intrinsic oxygen vacancies at the surface of ultra-thin La{sub 0.67}Sr{sub 0.33}MnO{sub 3}, which are more concentrated in thinner films. Our results show correlation between interfacial doping, oxygen vacancies, and the dead-layer, whichmore » can be explained by a simplified electrostatic model.« less

Ab Initio Study of Interfacial Structure Transformation of Amorphous Carbon Catalyzed by Ti, Cr, and W Transition Layers.

PubMed

Li, Xiaowei; Li, Lei; Zhang, Dong; Wang, Aiying

2017-11-29

Amorphous carbon (a-C) films composited with transition layers exhibit the desirable improvement of adhesion strength between films and substrate, but the further understanding on the interfacial structure transformation of a-C structure induced by transition layers is still lacked. In this paper, using ab initio calculations, we comparatively studied the interfacial structure between Ti, Cr, or W transition layers and a-C film from the atomic scale, and demonstrated that the addition of Ti, Cr, or W catalyzed the graphitic transformation of a-C structure at different levels, which provided the theoretical guidance for designing a multilayer nanocomposite film for renewed application.

Interface structure in nanoscale multilayers near continuous-to-discontinuous regime

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

Pradhan, P. C.; Majhi, A.; Nayak, M., E-mail: mnayak@rrcat.gov.in

2016-07-28

Interfacial atomic diffusion, reaction, and formation of microstructure in nanoscale level are investigated in W/B{sub 4}C multilayer (ML) system as functions of thickness in ultrathin limit. Hard x-ray reflectivity (XRR) and x-ray diffuse scattering in conjunction with x-ray absorption near edge spectroscopy (XANES) in soft x-ray and hard x-ray regimes and depth profiling x-ray photoelectron spectroscopy (XPS) have been used to precisely evaluate detailed interfacial structure by systematically varying the individual layer thickness from continuous-to-discontinuous regime. It is observed that the interfacial morphology undergoes an unexpected significant modification as the layer thickness varies from continuous-to-discontinuous regime. The interfacial atomic diffusionmore » increases, the physical density of W layer decreases and that of B{sub 4}C layer increases, and further more interestingly the in-plane correlation length decreases substantially as the layer thickness varies from continuous-to-discontinuous regime. This is corroborated using combined XRR and x-ray diffused scattering analysis. XANES and XPS results show formation of more and more tungsten compounds at the interfaces as the layer thickness decreases below the percolation threshold due to increase in the contact area between the elements. The formation of compound enhances to minimize certain degree of disorder at the interfaces in the discontinuous region that enables to maintain the periodic structure in ML. The degree of interfacial atomic diffusion, interlayer interaction, and microstructure is correlated as a function of layer thickness during early stage of film growth.« less

Nonlinear geometries in liquid crystals and liquid crystalline polymers

NASA Astrophysics Data System (ADS)

Dingemans, Theo Jacobus

The thermodynamic properties of thermotropic liquid crystals (LCs), and polymeric LCs are strongly dependent on mesogenic shape and in order to explore the relationships between shape and physical properties new, nonlinear geometries were examined. Symmetric oxadiazole based model compounds were synthesized and despite an internal exocyclic bond angle of 134sp° the model compounds exhibit a variety of mesophases. Conoscopic studies on bis(p-hexyloxyphenyl) 4,4sp'- (1,3,4-oxadiazole-2,5-diyl) dicarboxylate in its phase Ssb{A} phase are not consistent with the uniaxial Ssb{A} phase, but rather a biaxial Ssb{CM} phase. Uniaxial and biaxial mesogenic monomers were incorporated in main-chain polyesters. Transition temperatures of the interfacially prepared polymers were higher than materials that were melt polymerized. sp{13}C NMR showed that all polymers prepared by melt condensation have random monomer sequence distributions at the diad level. Thiophene and 1,3-phenylene modified p-quinquephenyls were synthesized in order to investigate the effects of mesogen nonlinearity and dipole direction on the LC thermodynamic properties. Results indicate that shape asymmetry favors mesophase formation and stability; the thiophene dipole moment appears to have no effect. The 120sp° exocyclic bond angle disrupts liquid crystallinity in 1,3-phenylene derivatives. Additionally the placement of 2,5-thiophene in "p-quinquephenyls" affects a red shift in its UV absorption. This was exploited in single layer light emitting diodes (LEDs) to tune the electroluminescence emission. In double layer LEDs these compounds function as efficient hole transport materials with high light outputs. Ferroelectric LCs derived from isoleucine were synthesized and shown to have spontaneous polarizations that are a strong function of halogen size (F > Cl > Br).

Comparative Study of ENIG and ENEPIG as Surface Finishes for a Sn-Ag-Cu Solder Joint

NASA Astrophysics Data System (ADS)

Yoon, Jeong-Won; Noh, Bo-In; Jung, Seung-Boo

2011-09-01

Interfacial reactions and joint reliability of Sn-3.0Ag-0.5Cu solder with two different surface finishes, electroless nickel-immersion gold (ENIG) and electroless nickel-electroless palladium-immersion gold (ENEPIG), were evaluated during a reflow process. We first compared the interfacial reactions of the two solder joints and also successfully revealed a connection between the interfacial reaction behavior and mechanical reliability. The Sn-Ag-Cu/ENIG joint exhibited a higher intermetallic compound (IMC) growth rate and a higher consumption rate of the Ni(P) layer than the Sn-Ag-Cu/ENEPIG joint. The presence of the Pd layer in the ENEPIG suppressed the growth of the interfacial IMC layer and the consumption of the Ni(P) layer, resulting in the superior interfacial stability of the solder joint. The shear test results show that the ENIG joint fractured along the interface, exhibiting indications of brittle failure possibly due to the brittle IMC layer. In contrast, the failure of the ENEPIG joint only went through the bulk solder, supporting the idea that the interface is mechanically reliable. The results from this study confirm that the Sn-Ag-Cu/ENEPIG solder joint is mechanically robust and, thus, the combination is a viable option for a Pb-free package system.

Interfacial Passivation of the p-Doped Hole-Transporting Layer Using General Insulating Polymers for High-Performance Inverted Perovskite Solar Cells.

PubMed

Zhang, Fan; Song, Jun; Hu, Rui; Xiang, Yuren; He, Junjie; Hao, Yuying; Lian, Jiarong; Zhang, Bin; Zeng, Pengju; Qu, Junle

2018-05-01

Organic-inorganic lead halide perovskite solar cells (PVSCs), as a competing technology with traditional inorganic solar cells, have now realized a high power conversion efficiency (PCE) of 22.1%. In PVSCs, interfacial carrier recombination is one of the dominant energy-loss mechanisms, which also results in the simultaneous loss of potential efficiency. In this work, for planar inverted PVSCs, the carrier recombination is dominated by the dopant concentration in the p-doped hole transport layers (HTLs), since the F4-TCNQ dopant induces more charge traps and electronic transmission channels, thus leading to a decrease in open-circuit voltages (V OC ). This issue is efficiently overcome by inserting a thin insulating polymer layer (poly(methyl methacrylate) or polystyrene) as a passivation layer with an appropriate thickness, which allows for increases in the V OC without significantly sacrificing the fill factor. It is believed that the passivation layer attributes to the passivation of interfacial recombination and the suppression of current leakage at the perovskite/HTL interface. By manipulating this interfacial passivation technique, a high PCE of 20.3% is achieved without hysteresis. Consequently, this versatile interfacial passivation methodology is highly useful for further improving the performance of planar inverted PVSCs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

PubMed

Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

2012-07-21

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.

Mixed layers of sodium caseinate + dextran sulfate: influence of order of addition to oil-water interface.

PubMed

Jourdain, Laureline S; Schmitt, Christophe; Leser, Martin E; Murray, Brent S; Dickinson, Eric

2009-09-01

We report on the interfacial properties of electrostatic complexes of protein (sodium caseinate) with a highly sulfated polysaccharide (dextran sulfate). Two routes were investigated for preparation of adsorbed layers at the n-tetradecane-water interface at pH = 6. Bilayers were made by the layer-by-layer deposition technique whereby polysaccharide was added to a previously established protein-stabilized interface. Mixed layers were made by the conventional one-step method in which soluble protein-polysaccharide complexes were adsorbed directly at the interface. Protein + polysaccharide systems gave a slower decay of interfacial tension and stronger dilatational viscoelastic properties than the protein alone, but there was no significant difference in dilatational properties between mixed layers and bilayers. Conversely, shear rheology experiments exhibited significant differences between the two kinds of interfacial layers, with the mixed system giving much stronger interfacial films than the bilayer system, i.e., shear viscosities and moduli at least an order of magnitude higher. The film shear viscoelasticity was further enhanced by acidification of the biopolymer mixture to pH = 2 prior to interface formation. Taken together, these measurements provide insight into the origin of previously reported differences in stability properties of oil-in-water emulsions made by the bilayer and mixed layer approaches. Addition of a proteolytic enzyme (trypsin) to both types of interfaces led to a significant increase in the elastic modulus of the film, suggesting that the enzyme was adsorbed at the interface via complexation with dextran sulfate. Overall, this study has confirmed the potential of shear rheology as a highly sensitive probe of associative electrostatic interactions and interfacial structure in mixed biopolymer layers.

Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations

NASA Astrophysics Data System (ADS)

Sundararaman, Ravishankar; Letchworth-Weaver, Kendra; Schwarz, Kathleen A.

2018-04-01

Reliable first-principles calculations of electrochemical processes require accurate prediction of the interfacial capacitance, a challenge for current computationally efficient continuum solvation methodologies. We develop a model for the double layer of a metallic electrode that reproduces the features of the experimental capacitance of Ag(100) in a non-adsorbing, aqueous electrolyte, including a broad hump in the capacitance near the potential of zero charge and a dip in the capacitance under conditions of low ionic strength. Using this model, we identify the necessary characteristics of a solvation model suitable for first-principles electrochemistry of metal surfaces in non-adsorbing, aqueous electrolytes: dielectric and ionic nonlinearity, and a dielectric-only region at the interface. The dielectric nonlinearity, caused by the saturation of dipole rotational response in water, creates the capacitance hump, while ionic nonlinearity, caused by the compactness of the diffuse layer, generates the capacitance dip seen at low ionic strength. We show that none of the previously developed solvation models simultaneously meet all these criteria. We design the nonlinear electrochemical soft-sphere solvation model which both captures the capacitance features observed experimentally and serves as a general-purpose continuum solvation model.

Emergent Interfacial Ferromagnetism in CaMnO3-based Superlattices

NASA Astrophysics Data System (ADS)

Grutter, Alexander

2014-03-01

Interfaces of complex oxide materials provide a rich playground not only for the exploration of properties not found in the bulk constituents but also for the development of functional interfaces to be incorporated in spintronic applications. Emergent interfacial magnetic phenomena have been of great interest but surprisingly there have been few examples of emergent interfacial ferromagnetism. In this talk, I will describe our recent work on the stabilization of ferromagnetism in CaMnO3-based superlattices. We have demonstrated ferromagnetism at the interface between the antiferromagnetic insulator CaMnO3 and a paramagnetic metallic layer, including CaRuO3 and LaNiO3. Theoretically the ferromagnetism has been attributed to an interfacial double exchange interaction among the interfacial Mn ions that is mediated by itinerant electrons from the paramagnetic metallic layer. Through polarized neutron reflectivity and observation of exchange bias, we have demonstrated that the ferromagnetism comes from Mn ions in a single unit cell at the interfaces just as theory has predicted. We have also demonstrated that the metallicity of the paramagnetic layer is critical in stabilizing ferromagnetism at the interface and that the interfacial ferromagnetism can be suppressed by suppressing the metallicity of the paramagnetic layer. Despite the agreement with theory, there remain open questions as to the magnetic interactions among the interfacial ferromagnetic layers. For example, the saturated magnetic moment modulates as a function of the thickness of both the CaMnO3 and paramagnetic metal layers. The origins of this oscillation are not well understood and may stem from either structural effects or long-range oscillatory magnetic coupling interactions reminiscent of RKKY interactions. Evidence of the doubling of the unit cell and long range antiferromagnetic correlations support these speculations. This work was supported by the U.S. Department of Energy, Office of Science, Division of Materials Sciences and Engineering, under Contract # DE-AC05-76RL01830 and DE-SC0008505.

Effects of nitrogen incorporation in HfO(2) grown on InP by atomic layer deposition: an evolution in structural, chemical, and electrical characteristics.

PubMed

Kang, Yu-Seon; Kim, Dae-Kyoung; Kang, Hang-Kyu; Jeong, Kwang-Sik; Cho, Mann-Ho; Ko, Dae-Hong; Kim, Hyoungsub; Seo, Jung-Hye; Kim, Dong-Chan

2014-03-26

We investigated the effects of postnitridation on the structural characteristics and interfacial reactions of HfO2 thin films grown on InP by atomic layer deposition (ALD) as a function of film thickness. By postdeposition annealing under NH3 vapor (PDN) at 600 °C, an InN layer formed at the HfO2/InP interface, and ionized NHx was incorporated in the HfO2 film. We demonstrate that structural changes resulting from nitridation of HfO2/InP depend on the film thickness (i.e., a single-crystal interfacial layer of h-InN formed at thin (2 nm) HfO2/InP interfaces, whereas an amorphous InN layer formed at thick (>6 nm) HfO2/InP interfaces). Consequently, the tetragonal structure of HfO2 transformed into a mixture structure of tetragonal and monoclinic because the interfacial InN layer relieved interfacial strain between HfO2 and InP. During postdeposition annealing (PDA) in HfO2/InP at 600 °C, large numbers of oxidation states were generated as a result of interfacial reactions between interdiffused oxygen impurities and out-diffused InP substrate elements. However, in the case of the PDN of HfO2/InP structures at 600 °C, nitrogen incorporation in the HfO2 film effectively blocked the out-diffusion of atomic In and P, thus suppressing the formation of oxidation states. Accordingly, the number of interfacial defect states (Dit) within the band gap of InP was significantly reduced, which was also supported by DFT calculations. Interfacial InN in HfO2/InP increased the electron-barrier height to ∼0.6 eV, which led to low-leakage-current density in the gate voltage region over 2 V.

Hydrogen Sensors Using Nitride-Based Semiconductor Diodes: The Role of Metal/Semiconductor Interfaces

PubMed Central

Irokawa, Yoshihiro

2011-01-01

In this paper, I review my recent results in investigating hydrogen sensors using nitride-based semiconductor diodes, focusing on the interaction mechanism of hydrogen with the devices. Firstly, effects of interfacial modification in the devices on hydrogen detection sensitivity are discussed. Surface defects of GaN under Schottky electrodes do not play a critical role in hydrogen sensing characteristics. However, dielectric layers inserted in metal/semiconductor interfaces are found to cause dramatic changes in hydrogen sensing performance, implying that chemical selectivity to hydrogen could be realized. The capacitance-voltage (C–V) characteristics reveal that the work function change in the Schottky metal is not responsible mechanism for hydrogen sensitivity. The interface between the metal and the semiconductor plays a critical role in the interaction of hydrogen with semiconductor devises. Secondly, low-frequency C–V characterization is employed to investigate the interaction mechanism of hydrogen with diodes. As a result, it is suggested that the formation of a metal/semiconductor interfacial polarization could be attributed to hydrogen-related dipoles. In addition, using low-frequency C–V characterization leads to clear detection of 100 ppm hydrogen even at room temperature where it is hard to detect hydrogen by using conventional current-voltage (I–V) characterization, suggesting that low-frequency C–V method would be effective in detecting very low hydrogen concentrations. PMID:22346597

Realization of Intrinsically Stretchable Organic Solar Cells Enabled by Charge-Extraction Layer and Photoactive Material Engineering.

PubMed

Hsieh, Yun-Ting; Chen, Jung-Yao; Fukuta, Seijiro; Lin, Po-Chen; Higashihara, Tomoya; Chueh, Chu-Chen; Chen, Wen-Chang

2018-06-12

The rapid development of wearable electronic devices has prompted a strong demand to develop stretchable organic solar cells (OSCs) to serve as the advanced powering systems. However, to realize an intrinsically stretchable OSC is challenging because it requires all the constituent layers to possess certain elastic properties. It thus necessitates a combined engineering of charge-transporting layers and photoactive materials. Herein, we first describe a stretchable electron-extraction layer using a blend of poly[(9,9-bis(3'-( N, N-dimethylamino)propyl)-2,7-fluorene)- alt-2,7-(9,9-dioctylfluorene)] (PFN) and nitrile butadiene rubber (NBR, Nipol 1072). This hybrid PFN/NBR layer exhibits a much lower Derjaguin-Muller-Toporov modulus (0.45 GPa) than the value (1.25 GPa) of the pristine PFN and could withstand a high strain (60% strain) without showing any cracks. Moreover, besides enriching the stretchability of PFN, the terminal carboxyl groups of NBR can ionize PFN to promote its solution-processability in polar solvents and to ensure the interfacial dipole formation at the corresponding interface in the device, as evidenced by the Fourier transform infrared and ultraviolet photoelectron spectroscopy analyses. By further coupling the replacement of [6,6]-phenyl-C 61 -butyric acid methyl ester (PCBM) with nonfullerene acceptors owing to better mechanical stretchability in the photoactive layer, OSCs with improved intrinsically stretchability and performance were demonstrated. An all-polymer OSC can exhibit a power conversion efficiency of 2.82% after 10% stretching, surpassing the PCBM-based device that can only withstand 5% strain.

Interfacial exchange coupling and magnetization reversal in perpendicular [Co/Ni]N/TbCo composite structures.

PubMed

Tang, M H; Zhang, Zongzhi; Tian, S Y; Wang, J; Ma, B; Jin, Q Y

2015-06-15

Interfacial exchange coupling and magnetization reversal characteristics in the perpendicular heterostructures consisting of an amorphous ferrimagnetic (FI) TbxCo(100-x) alloy layer exchange-coupled with a ferromagnetic (FM) [Co/Ni]N multilayer have been investigated. As compared with pure TbxCo(100-x) alloy, the magnetization compensation composition of the heterostructures shift to a higher Tb content, implying Co/Ni also serves to compensate the Tb moment in TbCo layer. The net magnetization switching field Hc⊥ and interlayer interfacial coupling field Hex, are not only sensitive to the magnetization and thickness of the switched TbxCo(100-x) or [Co/Ni]N layer, but also to the perpendicular magnetic anisotropy strength of the pinning layer. By tuning the layer structure we achieve simultaneously both large Hc⊥ = 1.31 T and Hex = 2.19 T. These results, in addition to the fundamental interest, are important to understanding of the interfacial coupling interaction in the FM/FI heterostructures, which could offer the guiding of potential applications in heat-assisted magnetic recording or all-optical switching recording technique.

Carbon-Coated Current Collectors for High-Power Li-Ion Secondary Batteries

DTIC Science & Technology

2012-08-29

deposition condition. Surface analysis indicates that this thin C layer does not contain interfacial Al-carbide layer. LiFePO4 electrode using this C...layer does not contain an interfacial Al-carbide layer. LiFePO4 electrode using this C-coated Al current collector exhibits higher capacity under 10 C...cathode. LiFePO4 (LFPO) was used as active materials for test, and this cathode material was purchased from Aleees company. The LFPO active layer

A nanoscale study of charge extraction in organic solar cells: the impact of interfacial molecular configurations.

PubMed

Tang, Fu-Ching; Wu, Fu-Chiao; Yen, Chia-Te; Chang, Jay; Chou, Wei-Yang; Gilbert Chang, Shih-Hui; Cheng, Horng-Long

2015-01-07

In the optimization of organic solar cells (OSCs), a key problem lies in the maximization of charge carriers from the active layer to the electrodes. Hence, this study focused on the interfacial molecular configurations in efficient OSC charge extraction by theoretical investigations and experiments, including small molecule-based bilayer-heterojunction (sm-BLHJ) and polymer-based bulk-heterojunction (p-BHJ) OSCs. We first examined a well-defined sm-BLHJ model system of OSC composed of p-type pentacene, an n-type perylene derivative, and a nanogroove-structured poly(3,4-ethylenedioxythiophene) (NS-PEDOT) hole extraction layer. The OSC with NS-PEDOT shows a 230% increment in the short circuit current density compared with that of the conventional planar PEDOT layer. Our theoretical calculations indicated that small variations in the microscopic intermolecular interaction among these interfacial configurations could induce significant differences in charge extraction efficiency. Experimentally, different interfacial configurations were generated between the photo-active layer and the nanostructured charge extraction layer with periodic nanogroove structures. In addition to pentacene, poly(3-hexylthiophene), the most commonly used electron-donor material system in p-BHJ OSCs was also explored in terms of its possible use as a photo-active layer. Local conductive atomic force microscopy was used to measure the nanoscale charge extraction efficiency at different locations within the nanogroove, thus highlighting the importance of interfacial molecular configurations in efficient charge extraction. This study enriches understanding regarding the optimization of the photovoltaic properties of several types of OSCs by conducting appropriate interfacial engineering based on organic/polymer molecular orientations. The ultimate power conversion efficiency beyond at least 15% is highly expected when the best state-of-the-art p-BHJ OSCs are combined with present arguments.

Tuning interfacial exchange interactions via electronic reconstruction in transition-metal oxide heterostructures

DOE PAGES

Li, Binzhi; Chopdekar, Rajesh V.; N'Diaye, Alpha T.; ...

2016-10-10

The impact of interfacial electronic reconstruction on the magnetic characteristics of La0.7Sr0.3CoO3 (LSCO)/La0.7Sr0.3MnO3 (LSMO) superlattices was investigated as a function of layer thickness using a combination of soft x-ray magnetic spectroscopy and bulk magnetometry. We found that the magnetic properties of the LSCO layers are impacted by two competing electronic interactions occurring at the LSCO/substrate and LSMO/LSCO interfaces. For thin LSCO layers (< 5 nm), the heterostructures exist in a highly coupled state where the chemically distinct layers behave as a single magnetic compound with magnetically active Co2+ ions. As the LSCO thickness increases, a high coercivity LSCO layer developsmore » which biases a low coercivity layer, which is composed not only of the LSMO layer, but also an interfacial LSCO layer. These results suggest a new route to tune the magnetic properties of transition metal oxide heterostructures through careful control of the interface structure.« less

Effects of fiber and interfacial layer architectures on the thermoplastic response of metal matrix composites

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Freed, Alan D.; Arnold, Steven M.

1992-01-01

Examined here is the effect of fiber and interfacial layer morphologies on thermal fields in metal matrix composites (MMCs). A micromechanics model based on an arbitrarily layered concentric cylinder configuration is used to calculate thermal stress fields in MMCs subjected to spatially uniform temperature changes. The fiber is modelled as a layered material with isotropic or orthotropic elastic layers, whereas the surrounding matrix, including interfacial layers, is treated as a strain-hardening, elastoplastic, von Mises solid with temperature-dependent parameters. The solution to the boundary-value problem of an arbitrarily layered concentric cylinder under the prescribed thermal loading is obtained using the local/global stiffness matrix formulation originally developed for stress analysis of multilayered elastic media. Examples are provided that illustrate how the morphology of the SCS6 silicon carbide fiber and the use of multiple compliant layers at the fiber/matrix interface affect the evolution of residual stresses in SiC/Ti composites during fabrication cool-down.

Surface-interface exploration of Mg deposited on Si(100) and oxidation effect on interfacial layer

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

Sarpi, B.; Daineche, R.; Girardeaux, C.

Using scanning tunneling microscopy and spectroscopy, Auger electron spectroscopy, and low energy electron diffraction, we have studied the growth of Mg deposited on Si(100)-(2 × 1). Coverage from 0.05 monolayer (ML) to 3 ML was investigated at room temperature. The growth mode of the magnesium is a two steps process. At very low coverage, there is formation of an amorphous ultrathin silicide layer with a band gap of 0.74 eV, followed by a layer-by-layer growth of Mg on top of this silicide layer. Topographic images reveal that each metallic Mg layer is formed by 2D islands coalescence process on top of the silicidemore » interfacial layer. During oxidation of the Mg monolayer, the interfacial silicide layer acts as diffusion barrier for the oxygen atoms with a decomposition of the silicide film to a magnesium oxide as function of O{sub 2} exposure.« less

Understanding Thermal Transport in Graded, Layered and Hybrid Materials

DTIC Science & Technology

2014-04-01

interfacial chemistries, including metallic and carbide layers, and; (iv) mimic the observed interface structure on a TDTR specimen by manipulating the...surface carbides , which were extracted from several different composites via acid dissolution of Cu, continued throughout the last 12 months of the...effort. The previously-reported electron probe microanalysis (EPMA) based techniques were employed to estimate the interfacial carbide layer thickness

Investigation on Surface Polarization of Al2O3-capped GaN/AlGaN/GaN Heterostructure by Angle-Resolved X-ray Photoelectron Spectroscopy.

PubMed

Duan, Tian Li; Pan, Ji Sheng; Wang, Ning; Cheng, Kai; Yu, Hong Yu

2017-08-17

The surface polarization of Ga-face gallium nitride (GaN) (2 nm)/AlGaN (22 nm)/GaN channel (150 nm)/buffer/Si with Al 2 O 3 capping layer is investigated by angle-resolved X-ray photoelectron spectroscopy (ARXPS). It is found that the energy band varies from upward bending to downward bending in the interface region, which is believed to be corresponding to the polarization variation. An interfacial layer is formed between top GaN and Al 2 O 3 due to the occurrence of Ga-N bond break and Ga-O bond forming during Al 2 O 3 deposition via the atomic layer deposition (ALD). This interfacial layer is believed to eliminate the GaN polarization, thus reducing the polarization-induced negative charges. Furthermore, this interfacial layer plays a key role for the introduction of the positive charges which lead the energy band downward. Finally, a N 2 annealing at 400 °C is observed to enhance the interfacial layer growth thus increasing the density of positive charges.

A solution-processed binary cathode interfacial layer facilitates electron extraction for inverted polymer solar cells.

PubMed

Zhang, Xinyuan; Li, Zhiqi; Liu, Chunyu; Guo, Jiaxin; Shen, Liang; Guo, Wenbin

2018-03-15

The charge transfer and separation are significantly affected by the electron properties of the interface between the electron-donor layer and the carrier-transporting layer in polymer solar cells (PSCs). In this study, we investigate the electron extraction mechanism of PSCs with a low temperature solution-processed ZnO/PEI as electron transport layer. The incorporation of PEI layer can decrease the work function of ZnO and reduce interfacial barrier, which facilitates electron extraction and suppresses bimolecular recombination, leading to a significant performance enhancement. Furthermore, PEI layer can induce phase separation and passivite inorganic surface trap states as well as shift the interfacial energy offset between metal oxide and organic materials. This work offers a simple and effective way to improve the charge transporting property of organic photovoltaic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

Microstructure of room temperature ionic liquids at stepped graphite electrodes

DOE PAGES

Feng, Guang; Li, Song; Zhao, Wei; ...

2015-07-14

Molecular dynamics simulations of room temperature ionic liquid (RTIL) [emim][TFSI] at stepped graphite electrodes were performed to investigate the influence of the thickness of the electrode surface step on the microstructure of interfacial RTILs. A strong correlation was observed between the interfacial RTIL structure and the step thickness in electrode surface as well as the ion size. Specifically, when the step thickness is commensurate with ion size, the interfacial layering of cation/anion is more evident; whereas, the layering tends to be less defined when the step thickness is close to the half of ion size. Furthermore, two-dimensional microstructure of ionmore » layers exhibits different patterns and alignments of counter-ion/co-ion lattice at neutral and charged electrodes. As the cation/anion layering could impose considerable effects on ion diffusion, the detailed information of interfacial RTILs at stepped graphite presented here would help to understand the molecular mechanism of RTIL-electrode interfaces in supercapacitors.« less

Effects of cathode electrolyte interfacial (CEI) layer on long term cycling of all-solid-state thin-film batteries

DOE PAGES

Wang, Ziying; Lee, Jungwoo Z.; Xin, Huolin L.; ...

2016-05-30

All-solid-state lithium-ion batteries have the potential to not only push the current limits of energy density by utilizing Li metal, but also improve safety by avoiding flammable organic electrolyte. However, understanding the role of solid electrolyte – electrode interfaces will be critical to improve performance. In this paper, we conducted long term cycling on commercially available lithium cobalt oxide (LCO)/lithium phosphorus oxynitride (LiPON)/lithium (Li) cells at elevated temperature to investigate the interfacial phenomena that lead to capacity decay. STEM-EELS analysis of samples revealed a previously unreported disordered layer between the LCO cathode and LiPON electrolyte. This electrochemically inactive layer grewmore » in thickness leading to loss of capacity and increase of interfacial resistance when cycled at 80 °C. Finally, the stabilization of this layer through interfacial engineering is crucial to improve the long term performance of thin-film batteries especially under thermal stress.« less

Interfacial crystalline structures in injection over-molded polypropylene and bond strength.

PubMed

Yan, Bowen; Wu, Hong; Jiang, Genjie; Guo, Shaoyun; Huang, Jian

2010-11-01

This paper describes interfacial crystalline structures found in injection overmolded polypropylene components and the relationship of these structures to bond strength between the components. The combined effects of the development of hierarchical gradient structures and the particular thermomechanical environment near the interface on the interfacial crystalline structures were investigated in detail by PLM, SEM, DSC, WAXD, and infrared dichroism spectroscopy. The experimental results showed that during molding there was competitive formation of interfacial crystalline structures consisted of "shish-kebab" layer (SKL) and a transcrystalline layers (TCL). Variation in shear stress (controlled by injection pressure and injection speed) plays an important role in the formation of the SKL. The formation of TCL is influenced by the thermal environment, namely melt temperature and mold temperature. Increasing within certain limits, interfacial temperature and the thermal gradient near the interface promotes β-iPP growth. The relationship between interfacial crystalline structures and interfacial bond strength was established by lap shear measurement. The interfacial bond strength is improved by enhancing the formation of TCL, but reduced if SKL predominates.

Effect of processing parameters on the formation of C{sub f}/LAS composites/Ag−Cu−Ti/TC4 brazed joint

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

Liu, Duo; Niu, Hongwei

C{sub f}/LAS composites were successfully jointed to TC4 alloy with Ag−Cu−Ti filler by vacuum brazing. The interfacial microstructure of TC4/C{sub f}/LAS composites joints was characterized by employing scanning electron microscope (SEM), energy dispersive spectrometer (EDS), X-diffraction (XRD) and transmission electron microscopy (TEM). The determination of the thin interfacial reaction layer (TiSi{sub 2} + TiC layer) was realized by TEM. The effect of holding time on the interfacial microstructure and shear strength were investigated. With the increasing holding time, the thickness of diffusion layer, Ti{sub 3}Cu{sub 4} layer, and TiSi{sub 2} + TiC layer increased obviously, on the contrary, that ofmore » Ti−Cu intermetallic compound layers decreased gradually. Besides, blocky Ti{sub 3}Cu{sub 4} phase was coarsened when the joint was brazed at 890 °C for 20 min, which deteriorated the mechanical properties of the joint dramatically. The interfacial evolution of TC4/C{sub f}/LAS composites joint and the formation of TiSi{sub 2}, TiC, Ti{sub 3}Cu{sub 4}, TiCu and Ti{sub 2}Cu phases were expounded. The maximum shear strength of 26.4 MPa was obtained when brazed at 890 °C for 10 min. - Highlights: •The thin interface reaction layer was determined to be TiSi{sub 2} + TiC layer by TEM. •Holding time had influence on the interfacial microstructure and joint properties. •Microstructural evolution mechanism and reactions of brazed joints were expounded.« less

Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers

NASA Astrophysics Data System (ADS)

Specht, Judith F.; Verdenhalven, Eike; Bieniek, Björn; Rinke, Patrick; Knorr, Andreas; Richter, Marten

2018-04-01

The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on Förster-type nonradiative excitation transfer between the organic and inorganic layers and include quasimomentum conservation and intermolecular coupling between the molecules in the organic film. (Transition) partial charges calculated from density-functional theory are used to calculate the coupling elements. The partial charges describe the spatial charge distribution and go beyond the common dipole-dipole interaction. We find that the transfer rates are highly sensitive to variations in the geometry of the hybrid inorganic-organic system. For instance, the transfer efficiency is improved by up to 2 orders of magnitude by tuning the spatial arrangement of the molecules on the surface: Parameters of importance are the molecular packing density along the effective molecular dipole axis and the distance between the molecules and the surface. We also observe that the device performance strongly depends on the orientation of the molecular dipole moments relative to the substrate dipole moments determined by the inorganic crystal structure. Moreover, the operating regime is identified where inscattering dominates over unwanted backscattering from the molecular layer into the substrate.

Characterization methods for liquid interfacial layers

NASA Astrophysics Data System (ADS)

Javadi, A.; Mucic, N.; Karbaschi, M.; Won, J. Y.; Lotfi, M.; Dan, A.; Ulaganathan, V.; Gochev, G.; Makievski, A. V.; Kovalchuk, V. I.; Kovalchuk, N. M.; Krägel, J.; Miller, R.

2013-05-01

Liquid interfaces are met everywhere in our daily life. The corresponding interfacial properties and their modification play an important role in many modern technologies. Most prominent examples are all processes involved in the formation of foams and emulsions, as they are based on a fast creation of new surfaces, often of an immense extension. During the formation of an emulsion, for example, all freshly created and already existing interfaces are permanently subject to all types of deformation. This clearly entails the need of a quantitative knowledge on relevant dynamic interfacial properties and their changes under conditions pertinent to the technological processes. We report on the state of the art of interfacial layer characterization, including the determination of thermodynamic quantities as base line for a further quantitative analysis of the more important dynamic interfacial characteristics. Main focus of the presented work is on the experimental possibilities available at present to gain dynamic interfacial parameters, such as interfacial tensions, adsorbed amounts, interfacial composition, visco-elastic parameters, at shortest available surface ages and fastest possible interfacial perturbations. The experimental opportunities are presented along with examples for selected systems and theoretical models for a best data analysis. We also report on simulation results and concepts of necessary refinements and developments in this important field of interfacial dynamics.

Interfacial Shear Strength and Adhesive Behavior of Silk Ionomer Surfaces.

PubMed

Kim, Sunghan; Geryak, Ren D; Zhang, Shuaidi; Ma, Ruilong; Calabrese, Rossella; Kaplan, David L; Tsukruk, Vladimir V

2017-09-11

The interfacial shear strength between different layers in multilayered structures of layer-by-layer (LbL) microcapsules is a crucial mechanical property to ensure their robustness. In this work, we investigated the interfacial shear strength of modified silk fibroin ionomers utilized in LbL shells, an ionic-cationic pair with complementary ionic pairing, (SF)-poly-l-glutamic acid (Glu) and SF-poly-l-lysine (Lys), and a complementary pair with partially screened Coulombic interactions due to the presence of poly(ethylene glycol) (PEG) segments and SF-Glu/SF-Lys[PEG] pair. Shearing and adhesive behavior between these silk ionomer surfaces in the swollen state were probed at different spatial scales and pressure ranges by using functionalized atomic force microscopy (AFM) tips as well as functionalized colloidal probes. The results show that both approaches were consistent in analyzing the interfacial shear strength of LbL silk ionomers at different spatial scales from a nanoscale to a fraction of a micron. Surprisingly, the interfacial shear strength between SF-Glu and SF-Lys[PEG] pair with partially screened ionic pairing was greater than the interfacial shear strength of the SF-Glu and SF-Lys pair with a high density of complementary ionic groups. The difference in interfacial shear strength and adhesive strength is suggested to be predominantly facilitated by the interlayer hydrogen bonding of complementary amino acids and overlap of highly swollen PEG segments.

Interface electronic structure and morphology of 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene (C8-BTBT) on Au film

NASA Astrophysics Data System (ADS)

Wang, Shitan; Niu, Dongmei; Lyu, Lu; Huang, Yingbao; Wei, Xuhui; Wang, Can; Xie, Haipeng; Gao, Yongli

2017-09-01

The interfacial electronic structure and morphology of 2,7-dioctyl[1]benzothieno[3,2-b]benzothiophene(C8-BTBT) on polycrystalline Au film was investigated with photoemission spectroscopy (PES), atomic force microscopy (AFM) and grazing incidence X-ray diffraction (GIXRD). The transport barriers of holes and electrons at the interface are 1.72 eV and 2.12 eV, respectively, from the UPS measurement. There is no chemical reaction of C8-BTBT with Au from the XPS investigation of core levels Au 4f, C 1s and S 2p. The upmost molecules adopt a standing up configuration deduced from the diffraction peaks in GIXRD and the step height in AFM. Increasing order of the upright orientation of C8-BTBT molecules with film growth result in decreasing work function of the C8-BTBT thin film by forming an outward pointing dipole layer with the ordered end Csbnd H bonds.

Effects of interfacial layer on characteristics of TiN/ZrO2 structures.

PubMed

Kim, Younsoo; Kang, Sang Yeol; Choi, Jae Hyoung; Lim, Jae Soon; Park, Min Young; Chung, Suk-Jin; Chung, Jaegwan; Lee, Hyung Ik; Kim, Ki Hong; Kyoung, Yong Koo; Heo, Sung; Yoo, Cha Young; Kang, Ho-Kyu

2011-09-01

To minimize the formation of unwanted interfacial layers, thin interfacial layer (ZrCN layer) was deposited between TiN bottom electrode and ZrO2 dielectric in TiN/ZrO2/TiN capacitor. Carbon and nitrogen were also involved in the layer because ZrCN layer was thermally deposited using TEMAZ without any reactant. Electrical characteristics of TiN/ZrO2/TiN capacitor were improved by insertion of ZrCN layer. The oxidation of TiN bottom electrode was largely inhibited at TiN/ZrCN/ZrO2 structure compared to TiN/ZrO2 structure. While the sheet resistance of TiN/ZrCN/ZrO2 structure was constantly sustained with increasing ZrO2 thickness, the large increase of sheet resistance was observed in TiN/ZrO2 structure after 6 nm ZrO2 deposition. When ZrO2 films were deposited on ZrCN layer, the deposition rate of ZrO2 also increased. It is believed that ZrCN layer acted both as a protection layer of TiN oxidation and a seed layer of ZrO2 growth.

Novel strip-cast Mg/Al clad sheets with excellent tensile and interfacial bonding properties

PubMed Central

Kim, Jung-Su; Lee, Dong Ho; Jung, Seung-Pill; Lee, Kwang Seok; Kim, Ki Jong; Kim, Hyoung Seop; Lee, Byeong-Joo; Chang, Young Won; Yuh, Junhan; Lee, Sunghak

2016-01-01

In order to broaden industrial applications of Mg alloys, as lightest-weight metal alloys in practical uses, many efforts have been dedicated to manufacture various clad sheets which can complement inherent shortcomings of Mg alloys. Here, we present a new fabrication method of Mg/Al clad sheets by bonding thin Al alloy sheet on to Mg alloy melt during strip casting. In the as-strip-cast Mg/Al clad sheet, homogeneously distributed equi-axed dendrites existed in the Mg alloy side, and two types of thin reaction layers, i.e., γ (Mg17Al12) and β (Mg2Al3) phases, were formed along the Mg/Al interface. After post-treatments (homogenization, warm rolling, and annealing), the interfacial layers were deformed in a sawtooth shape by forming deformation bands in the Mg alloy and interfacial layers, which favorably led to dramatic improvement in tensile and interfacial bonding properties. This work presents new applications to multi-functional lightweight alloy sheets requiring excellent formability, surface quality, and corrosion resistance as well as tensile and interfacial bonding properties. PMID:27245687

Novel strip-cast Mg/Al clad sheets with excellent tensile and interfacial bonding properties.

PubMed

Kim, Jung-Su; Lee, Dong Ho; Jung, Seung-Pill; Lee, Kwang Seok; Kim, Ki Jong; Kim, Hyoung Seop; Lee, Byeong-Joo; Chang, Young Won; Yuh, Junhan; Lee, Sunghak

2016-06-01

In order to broaden industrial applications of Mg alloys, as lightest-weight metal alloys in practical uses, many efforts have been dedicated to manufacture various clad sheets which can complement inherent shortcomings of Mg alloys. Here, we present a new fabrication method of Mg/Al clad sheets by bonding thin Al alloy sheet on to Mg alloy melt during strip casting. In the as-strip-cast Mg/Al clad sheet, homogeneously distributed equi-axed dendrites existed in the Mg alloy side, and two types of thin reaction layers, i.e., γ (Mg17Al12) and β (Mg2Al3) phases, were formed along the Mg/Al interface. After post-treatments (homogenization, warm rolling, and annealing), the interfacial layers were deformed in a sawtooth shape by forming deformation bands in the Mg alloy and interfacial layers, which favorably led to dramatic improvement in tensile and interfacial bonding properties. This work presents new applications to multi-functional lightweight alloy sheets requiring excellent formability, surface quality, and corrosion resistance as well as tensile and interfacial bonding properties.

Effect of Oxygen Inhibition Layer of Universal Adhesives on Enamel Bond Fatigue Durability and Interfacial Characteristics With Different Etching Modes.

PubMed

Ouchi, H; Tsujimoto, A; Nojiri, K; Hirai, K; Takamizawa, T; Barkmeier, W W; Latta, M A; Miyazaki, M

The purpose of this study was to evaluate the effect of the oxygen inhibition layer of universal adhesive on enamel bond fatigue durability and interfacial characteristics with different etching modes. The three universal adhesives used were Scotchbond Universal Adhesive (3M ESPE, St Paul, MN, USA), Adhese Universal (Ivoclar Vivadent, Schaan, Lichtenstein), and G-Premio Bond (GC, Tokyo, Japan). The initial shear bond strength and shear fatigue strength to enamel was determined in the presence and absence of the oxygen inhibition layer, with and without phosphoric acid pre-etching. The water contact angle was also measured in all groups using the sessile drop method. The enamel bonding specimens with an oxygen inhibition layer showed significantly higher (p<0.05) initial shear bond strengths and shear fatigue strengths than those without, regardless of the adhesive type and etching mode. Moreover, the water contact angles on the specimens with an oxygen inhibition layer were significantly lower (p<0.05) than on those without, regardless of etching mode. The results of this study suggest that the oxygen inhibition layer of universal adhesives significantly increases the enamel bond fatigue durability and greatly changes interfacial characteristics, suggesting that the bond fatigue durability and interfacial characteristics of these adhesives strongly rely on its presence.

Interfacial Materials for Organic Solar Cells: Recent Advances and Perspectives

PubMed Central

Yin, Zhigang; Wei, Jiajun

2016-01-01

Organic solar cells (OSCs) have shown great promise as low‐cost photovoltaic devices for solar energy conversion over the past decade. Interfacial engineering provides a powerful strategy to enhance efficiency and stability of OSCs. With the rapid advances of interface layer materials and active layer materials, power conversion efficiencies (PCEs) of both single‐junction and tandem OSCs have exceeded a landmark value of 10%. This review summarizes the latest advances in interfacial layers for single‐junction and tandem OSCs. Electron or hole transporting materials, including metal oxides, polymers/small‐molecules, metals and metal salts/complexes, carbon‐based materials, organic‐inorganic hybrids/composites, and other emerging materials, are systemically presented as cathode and anode interface layers for high performance OSCs. Meanwhile, incorporating these electron‐transporting and hole‐transporting layer materials as building blocks, a variety of interconnecting layers for conventional or inverted tandem OSCs are comprehensively discussed, along with their functions to bridge the difference between adjacent subcells. By analyzing the structure–property relationships of various interfacial materials, the important design rules for such materials towards high efficiency and stable OSCs are highlighted. Finally, we present a brief summary as well as some perspectives to help researchers understand the current challenges and opportunities in this emerging area of research. PMID:27812480

Linear Instability Analysis of non-uniform Bubbly Mixing layer with Two-Fluid model

NASA Astrophysics Data System (ADS)

Sharma, Subash; Chetty, Krishna; Lopez de Bertodano, Martin

We examine the inviscid instability of a non-uniform adiabatic bubbly shear layer with a Two-Fluid model. The Two-Fluid model is made well-posed with the closure relations for interfacial forces. First, a characteristic analysis is carried out to study the well posedness of the model over range of void fraction with interfacial forces for virtual mass, interfacial drag, interfacial pressure. A dispersion analysis then allow us to obtain growth rate and wavelength. Then, the well-posed two-fluid model is solved using CFD to validate the results obtained with the linear stability analysis. The effect of the void fraction and the distribution profile on stability is analyzed.

Correlation between the dielectric and the mechanical behavior of cellulose nanocomposites extracted from the rachis of the date palm tree

NASA Astrophysics Data System (ADS)

Ladhar, A.; Arous, M.; Kaddami, H.; Ayadi, Z.; Kallel, A.

2017-10-01

In the present study, the dielectric and mechanical properties of natural rubber (NR) based nanocomposites are investigated. Cellulose nanofillers are used in two forms as reinforcing phase: nanofibrillated cellulose (NFC) and cellulose nanocrystals (CNC). In the dielectric study, different relaxation phenomena are detected: the α dipolar relaxation, the lignin and hemicelluloses relaxation, the water dipoles relaxation, the interfacial polarization and the ionic conduction. For the interfacial polarization, the dielectric strength Δε showed lower values for NFC-filled nanocomposites than CNC-filled samples. It was explained with higher interactions between induced dipoles and lower mobility, assuring a better adhesion between the NR and the NFC. Moreover, in tensile tests, the elastic modulus increases with filling indicating the reinforcement effect of nanofillers. In addition, the NR-NFC nanocomposites display the highest tensile modulus. This result shows the higher compatibility of NFC with the NR matrix, and the ensuing higher filler/matrix adhesion. In dynamic mechanical analysis (DMA), a significant reinforcing effect of NFC was shown. This effect is manifested with the high storage modulus E‧, suggesting that the interactions between the NR matrix and the NFC fibers were stronger.

Role of interfacial transition layers in VO2/Al2O3 heterostructures

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

Zhou, Honghui; Chisholm, Matthew F; Yang, Tsung-Han

2011-01-01

Epitaxial VO2 films grown by pulsed laser deposition (PLD) on c-cut sapphire substrates ((0001) Al2O3) were studied by aberration-corrected scanning transmission electron microscopy (STEM). A number of film/substrate orientation relationships were found and are discussed in the context of the semiconductor-metal transition (SMT) characteristics. A structurally and electronically modified buffer layer was revealed on the interface and was attributed to the interface free-energy minimization process of accommodating the symmetry mismatch between the substrate and the film. This interfacial transition layer is expected to affect the SMT behavior when the interfacial region is a significant fraction of the VO2 film thickness.

Dependence of interfacial Dzyaloshinskii-Moriya interaction and perpendicular magnetic anisotropy on the thickness of the heavy-metal layer

NASA Astrophysics Data System (ADS)

Kim, Nam-Hui; Han, Dong-Soo; Jung, Jinyong; Park, Kwonjin; Swagten, Henk J. M.; Kim, June-Seo; You, Chun-Yeol

2017-10-01

The interfacial Dzyaloshinskii-Moriya interaction (iDMI) and the interfacial perpendicular magnetic anisotropy (iPMA) between a heavy metal and ferromagnet are investigated by employing Brillouin light scattering. With increasing thickness of the heavy-metal (Pt) layer, the iDMI and iPMA energy densities are rapidly enhanced and they saturate for a Pt thickness of 2.4 nm. Since these two individual magnetic properties show the same Pt thickness dependence, this is evidence that the iDMI and iPMA at the interface between the heavy metal and ferromagnet, the physical origin of these phenomena, are effectively enhanced upon increasing the thickness of the heavy-metal layer.

Transport limited interfacial carrier relaxation in a double-layer device investigated by time-resolved second harmonic generation and impedance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Le; Taguchi, Dai; Li, Jun; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-02-01

The interfacial carrier relaxation in an indium tin oxide/polyimide/pentacene/Au double-layer device was studied in both time and frequency domains by using time-resolved second harmonic generation (TR-SHG) and impedance spectroscopy (IS), respectively. Although both hole and electron injection into the pentacene layer and their accumulation at the pentacene/polyimide interface were revealed in TR-SHG, it was only observed in IS under the hole injection condition. The "contradiction" between the two methods for the same carrier relaxation process was explained on the basis of a model, transport limited interfacial carrier relaxation, in which the quasistatic state governs the one-directional carrier transport.

Energy level alignment at the interfaces between typical electrodes and nucleobases: Al/adenine/indium-tin-oxide and Al/thymine/indium-tin-oxide

NASA Astrophysics Data System (ADS)

Lee, Younjoo; Lee, Hyunbok; Park, Soohyung; Yi, Yeonjin

2012-12-01

We investigated the interfacial electronic structures of Al/adenine/indium-tin-oxide (ITO) and Al/thymine/ITO using in situ ultraviolet and x-ray photoemission spectroscopy and density functional theory calculations. Adenine shows both an interface dipole and level bending, whereas thymine shows only an interface dipole in contact with ITO. In addition, thymine possesses a larger ionization energy than adenine. These are understood with delocalized π states confirmed with theoretical calculations. For the interface between nucleobases and Al, both nucleobases show a prominent reduction of the electron injection barrier from Al to each base in accordance with a downward level shift.

Improvement of the interfacial Dzyaloshinskii-Moriya interaction by introducing a Ta buffer layer

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

Kim, Nam-Hui; Jung, Jinyong; Cho, Jaehun

2015-10-05

We report systematic measurements of the interfacial Dzyaloshinskii-Moriya interaction (iDMI) by employing Brillouin light scattering in Pt/Co/AlO{sub x} and Ta/Pt/Co/AlO{sub x} structures. By introducing a tantalum buffer layer, the saturation magnetization and the interfacial perpendicular magnetic anisotropy are significantly improved due to the better interface between heavy metal and ferromagnetic layer. From the frequency shift between Stokes- and anti-Stokes spin-waves, we successively obtain considerably larger iDM energy densities (D{sub max} = 1.65 ± 0.13 mJ/m{sup 2} at t{sub Co} = 1.35 nm) upon adding the Ta buffer layer, despite the nominally identical interface materials. Moreover, the energy density shows an inverse proportionality with the Co layer thickness,more » which is the critical clue that the observed iDMI is indeed originating from the interface between the Pt and Co layers.« less

Structure that encapsulates lithium metal for high energy density battery anode

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

Cui, Yi; Yan, Kai; Chu, Steven

A battery includes 1) an anode, 2) a cathode, and 3) an electrolyte disposed between the anode and the cathode. The anode includes a current collector and an interfacial layer disposed over the current collector, and the interfacial layer includes an array of interconnected, protruding regions that define spaces.

Tuning interfacial ferromagnetism in LaNiO 3 / CaMnO 3 superlattices by stabilizing nonequilibrium crystal symmetry

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

Flint, C. L.; Vailionis, A.; Zhou, H.

Perovskite oxide heterostructures offer an important path forward for stabilizing and controlling low-dimensional magnetism. One of the guiding design principles for these materials systems is octahedral connectivity. In superlattices composed of perovskites with different crystal symmetries, variation of the relative ratio of the constituent layers and the individual layer thicknesses gives rise to nonequilibrium crystal symmetries that, in turn, lead to unprecedented control of interfacial ferromagnetism. We have found that in superlattices of CaMnO 3 (CMO) and LaNiO 3 (LNO), interfacial ferromagnetism can be modulated by a factor of 3 depending on LNO and CMO layer thicknesses as well asmore » their relative ratio. Such an effect is only possible due to the nonequilibrium crystal symmetries at the interfaces and can be understood in terms of the anisotropy of the exchange interactions and modifications in the interfacial Ni-O-Mn and Mn-O-Mn bond angles and lengths with increasing LNO layer thickness. Here, these results demonstrate the potential of engineering nonequilibrium crystal symmetries in designing ferromagnetism.« less

Tuning interfacial ferromagnetism in LaNiO 3 / CaMnO 3 superlattices by stabilizing nonequilibrium crystal symmetry

DOE PAGES

Flint, C. L.; Vailionis, A.; Zhou, H.; ...

2017-10-31

Perovskite oxide heterostructures offer an important path forward for stabilizing and controlling low-dimensional magnetism. One of the guiding design principles for these materials systems is octahedral connectivity. In superlattices composed of perovskites with different crystal symmetries, variation of the relative ratio of the constituent layers and the individual layer thicknesses gives rise to nonequilibrium crystal symmetries that, in turn, lead to unprecedented control of interfacial ferromagnetism. We have found that in superlattices of CaMnO 3 (CMO) and LaNiO 3 (LNO), interfacial ferromagnetism can be modulated by a factor of 3 depending on LNO and CMO layer thicknesses as well asmore » their relative ratio. Such an effect is only possible due to the nonequilibrium crystal symmetries at the interfaces and can be understood in terms of the anisotropy of the exchange interactions and modifications in the interfacial Ni-O-Mn and Mn-O-Mn bond angles and lengths with increasing LNO layer thickness. Here, these results demonstrate the potential of engineering nonequilibrium crystal symmetries in designing ferromagnetism.« less

Electromagnetic fields due to a horizontal electric dipole antenna laid on the surface of a two-layer medium

NASA Technical Reports Server (NTRS)

Tsang, L.; Kong, J. A.

1974-01-01

With applications to geophysical subsurface probings, electromagnetic fields due to a horizontal electric dipole laid on the surface of a two-layer medium are solved by a combination of analytic and numerical methods. Interference patterns are calculated for various layer thickness. The results are interpreted in terms of normal modes, and the accuracies of the methods are discussed.

Fluorinated copper phthalocyanine nanowires for enhancing interfacial electron transport in organic solar cells.

PubMed

Yoon, Seok Min; Lou, Sylvia J; Loser, Stephen; Smith, Jeremy; Chen, Lin X; Facchetti, Antonio; Marks, Tobin J; Marks, Tobin

2012-12-12

Zinc oxide is a promising candidate as an interfacial layer (IFL) in inverted organic photovoltaic (OPV) cells due to the n-type semiconducting properties as well as chemical and environmental stability. Such ZnO layers collect electrons at the transparent electrode, typically indium tin oxide (ITO). However, the significant resistivity of ZnO IFLs and an energetic mismatch between the ZnO and the ITO layers hinder optimum charge collection. Here we report that inserting nanoscopic copper hexadecafluorophthalocyanine (F(16)CuPc) layers, as thin films or nanowires, between the ITO anode and the ZnO IFL increases OPV performance by enhancing interfacial electron transport. In inverted P3HT:PC(61)BM cells, insertion of F(16)CuPc nanowires increases the short circuit current density (J(sc)) versus cells with only ZnO layers, yielding an enhanced power conversion efficiency (PCE) of ∼3.6% vs ∼3.0% for a control without the nanowire layer. Similar effects are observed for inverted PTB7:PC(71)BM cells where the PCE is increased from 8.1% to 8.6%. X-ray scattering, optical, and electrical measurements indicate that the performance enhancement is ascribable to both favorable alignment of the nanowire π-π stacking axes parallel to the photocurrent flow and to the increased interfacial layer-active layer contact area. These findings identify a promising strategy to enhance inverted OPV performance by inserting anisotropic nanostructures with π-π stacking aligned in the photocurrent flow direction.

Self-force as a probe of global structure

NASA Astrophysics Data System (ADS)

Davidson, Karl; Poisson, Eric

2018-05-01

We calculate the self-force on an electric charge and electric dipole held at rest in a closed universe that results from joining two copies of Minkowski spacetime at a common boundary. Spacetime is strictly flat on each side of the boundary, but there is curvature at the surface layer required to join the two Minkowski spacetimes. We find that the self-force on the charge is always directed away from the surface layer. This is analogous to the case of an electric charge held at rest inside a spherical shell of matter, for which the self-force is also directed away from the shell. For the dipole, the direction of the self-force is a function of the dipole's position and orientation. Both self-forces become infinite when the charge or dipole is made to approach the surface layer. This study reveals that a self-force can arise even when the Riemann tensor vanishes at the position of the charge or dipole; in such cases the self-force is a manifestation of the global curvature of spacetime.

Control of the dipole layer of polar organic molecules adsorbed on metal surfaces via different charge-transfer channels

NASA Astrophysics Data System (ADS)

Lin, Meng-Kai; Nakayama, Yasuo; Zhuang, Ying-Jie; Su, Kai-Jun; Wang, Chin-Yung; Pi, Tun-Wen; Metz, Sebastian; Papadopoulos, Theodoros A.; Chiang, T.-C.; Ishii, Hisao; Tang, S.-J.

2017-02-01

Organic molecules with a permanent electric dipole moment have been widely used as a template for further growth of molecular layers in device structures. Key properties of the resulting organic films such as energy level alignment (ELA), work function, and injection/collection barrier are linked to the magnitude and direction of the dipole moment at the interface. Using angle-resolved photoemission spectroscopy (ARPES), we have systematically investigated the coverage-dependent work function and spectral line shapes of occupied molecular energy states (MESs) of chloroaluminium-phthalocyanine (ClAlPc) grown on Ag(111). We demonstrate that the dipole orientation of the first ClAlPc layer can be controlled by adjusting the deposition rate and postannealing conditions, and we find that the ELA at the interface differs by ˜0.4 eV between the Cl up and down configurations of the adsorbed ClAlPc molecules. These observations are rationalized by density functional theory (DFT) calculations based on a realistic model of the ClAlPc/Ag(111) interface, which reveal that the different orientations of the ClAlPc dipole layer lead to different charge-transfer channels between the adsorbed ClAlPc and Ag(111) substrate. Our findings provide a useful framework toward method development for ELA tuning.

Interfacial Reaction and IMC Growth of an Ultrasonically Soldered Cu/SAC305/Cu Structure during Isothermal Aging

PubMed Central

Long, Weifeng; Hu, Xiaowu; Fu, Yanshu

2018-01-01

In order to accelerate the growth of interfacial intermetallic compound (IMC) layers in a soldering structure, Cu/SAC305/Cu was first ultrasonically spot soldered and then subjected to isothermal aging. Relatively short vibration times, i.e., 400 ms and 800 ms, were used for the ultrasonic soldering. The isothermal aging was conducted at 150 °C for 0, 120, 240, and 360 h. The evolution of microstructure, the IMC layer growth mechanism during aging, and the shear strength of the joints after aging were systemically investigated. Results showed the following. (i) Formation of intermetallic compounds was accelerated by ultrasonic cavitation and streaming effects, the thickness of the interfacial Cu6Sn5 layer increased with aging time, and a thin Cu3Sn layer was identified after aging for 360 h. (ii) The growth of the interfacial IMC layer of the ultrasonically soldered Cu/SAC305/Cu joints followed a linear function of the square root of the aging time, revealing a diffusion-controlled mechanism. (iii) The tensile shear strength of the joint decreased to a small extent with increasing aging time, owing to the combined effects of IMC grain coarsening and the increase of the interfacial IMC. (iv) Finally, although the fracture surfaces and failure locations of the joint soldered with 400 ms and 800 ms vibration times show similar characteristics, they are influenced by the aging time. PMID:29316625

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain.

PubMed

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; Li, Leigang; Zhu, Yuanyuan; Xia, Zhenhai; Lu, Ping; Boullay, Philippe; Wu, Lijun; Zhu, Yimei; MacManus-Driscoll, Judith L; Jia, Quanxi; Zhou, Honghui; Narayan, Jagdish; Zhang, Xinghang; Wang, Haiyan

2016-07-06

Study of layered complex oxides emerge as one of leading topics in fundamental materials science because of the strong interplay among intrinsic charge, spin, orbital, and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials that exhibit new phenomena beyond their conventional forms. Here, we report a strain-driven self-assembly of bismuth-based supercell (SC) with a two-dimensional (2D) layered structure. With combined experimental analysis and first-principles calculations, we investigated the full SC structure and elucidated the fundamental growth mechanism achieved by the strain-enabled self-assembled atomic layer stacking. The unique SC structure exhibits room-temperature ferroelectricity, enhanced magnetic responses, and a distinct optical bandgap from the conventional double perovskite structure. This study reveals the important role of interfacial strain modulation and atomic rearrangement in self-assembling a layered singe-phase multiferroic thin film, which opens up a promising avenue in the search for and design of novel 2D layered complex oxides with enormous promise.

Appendix to theory of radio-frequency interferometry in geophysical subsurface probing, numerical results

NASA Technical Reports Server (NTRS)

Kong, J. A.; Tsang, L.

1974-01-01

A series of interference and radiation patterns are presented for radio interferometry in subsurface probing. The interference patterns are due both to a vertical magnetic dipole and to a horizontal electric dipole. Mode solutions are also presented for layer thickness equal to 1 wavelength, as well as for thin layers.

Determination of Halide Concentrations at the Interface of Zwitterionic Micelles by Chemical Trapping: Influence of the Orientation of the Dipole and the Nature of the Cation.

PubMed

Cuccovia; Romsted; Chaimovich

1999-12-01

The interfacial concentrations of Cl(-) and Br(-) in aqueous zwitterionic micelles were determined by chemical trapping by analyzing product yields from spontaneous dediazoniation of micelle-bound 2,6-dimethyl-4-hexadecylbenzenediazonium ion. Interfacial concentrations of Cl(-) and Br(-) in 3-(N-hexadecyl-N, N-dimethylammonio) propane sulfonate, HPS, micelles were higher than in bulk solutions prepared with Li(+), Na(+), Rb(+), Cs(+), tetramethylammonium (TMA(+)), Mg(+2), and Ca(+2) salts. In contrast, the interfacial concentrations of Cl(-) and Br(-) were generally lower than in bulk solution in hexadecylphosphoryl choline, HDPC, micelles for all salts except Mg(+2) and Ca(+2). In both HPS and HDPC micelles the interfacial concentration of Br(-) was higher than that of Cl(-), showing that binding is anion selective. The cation had a large effect on the interfacial concentration of halide ions with HDPC micelles decreasing in the order Ca(2+) > Mg(2+) > Li(+) > Na(+) > K(+) > Cs(+) > Rb(+) > TMA(+). These results are the first direct and extensive determination of local halide ion concentration at the surface of zwitterionic micelles, and they demonstrate that chemical trapping methodology will work in membranes at physiologically relevant salt concentrations. Copyright 1999 Academic Press.

Calculation of the Area of Stochastic Layer for a Single-Null Divertor Tokamak with the Effects of Dipole Coil Using Method of Maps

NASA Astrophysics Data System (ADS)

Basemore, Alphonso; Ali, Halima; Watson, Michael; Punjabi, Alkesh

1996-11-01

We calculate the variation in area of the stochastic scrape-off layer of a single-null divertor tokamak resulting from the effects of an externally placed dipole coil using the Method of Maps (Punjabi A, Verma A and Boozer A, Phys Rev Lett), 69, 3322 (1992) and J Plasma Phys, 52, 91 (1994). The unperturbed magnetic topology is represented by the Symmetric Simple Map (Ali H, Watson M, Mayer C, Punjabi A and Boozer A, Bull Am Phys Soc), 40, 1855 (1995). The effects of the dipole coil are repesented by the Dipole Map (Ali H, Watson M, Punjabi A and Boozer A, Sherwood Mtg), paper 1C20 (1996). A single dipole coil is placed across from the X-point below the last good surface. The strength of the dipole perturbation and the distance of the coil from last good surface are varied. The area of the stochastic layer is calculated using the method of fractal dimension. This work is supported by US DOE OFES. Alphonso Basemore is a HU CFRT Summer Fusion High School Workshop scholar from Mount Tabor High School in North Carolina. He is supported by NASA under its NASA SharpPlus Program.

Pressure-induced reinforcement of interfacial superconductivity in a Bi2Te3/Fe1+yTe heterostructure

NASA Astrophysics Data System (ADS)

Shen, Junying; Heuckeroth, Claire; Deng, Yuhang; He, Qinglin; Liu, Hong Chao; Liang, Jing; Wang, Jiannong; Sou, Iam Keong; Schilling, James S.; Lortz, Rolf

2017-12-01

We investigate the hydrostatic pressure dependence of interfacial superconductivity occurring at the atomically sharp interface between two non-superconducting materials: the topological insulator (TI) Bi2Te3 and the parent compound Fe1+yTe of the chalcogenide iron-based superconductors. Under pressure, a significant increase in the superconducting transition temperature Tc is observed. We interpret our data in the context of a pressure-induced enhanced coupling of the Fe1+yTe interfacial layer with the Bi2Te3 surface state, which modifies the electronic properties of the interface layer in a way that superconductivity emerges and becomes further enhanced under pressure. This demonstrates the important role of the TI in the interfacial superconducting mechanism.

Core–Shell Nanoparticle Coating as an Interfacial Layer for Dendrite-Free Lithium Metal Anodes

DOE PAGES

Liu, Wei; Li, Weiyang; Zhuo, Denys; ...

2017-02-08

Lithium metal based batteries represent a major challenge and opportunity in enabling a variety of devices requiring high-energy-density storage. However, dendritic lithium growth has limited the practical application of lithium metal anodes. Here we report a nanoporous, flexible and electrochemically stable coating of silica@poly(methyl methacrylate) (SiO 2@PMMA) core–shell nanospheres as an interfacial layer on lithium metal anode. This interfacial layer is capable of inhibiting Li dendrite growth while sustaining ionic flux through it, which is attributed to the nanoscaled pores formed among the nanospheres. Lastly, enhanced Coulombic efficiencies during lithium charge/discharge cycles have been achieved at various current densities andmore » areal capacities.« less

Core–Shell Nanoparticle Coating as an Interfacial Layer for Dendrite-Free Lithium Metal Anodes

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

Liu, Wei; Li, Weiyang; Zhuo, Denys

Lithium metal based batteries represent a major challenge and opportunity in enabling a variety of devices requiring high-energy-density storage. However, dendritic lithium growth has limited the practical application of lithium metal anodes. Here we report a nanoporous, flexible and electrochemically stable coating of silica@poly(methyl methacrylate) (SiO 2@PMMA) core–shell nanospheres as an interfacial layer on lithium metal anode. This interfacial layer is capable of inhibiting Li dendrite growth while sustaining ionic flux through it, which is attributed to the nanoscaled pores formed among the nanospheres. Lastly, enhanced Coulombic efficiencies during lithium charge/discharge cycles have been achieved at various current densities andmore » areal capacities.« less

Cooling without contact in bilayer dipolar Fermi gases

NASA Astrophysics Data System (ADS)

Tanatar, Bilal; Renklioglu, Basak; Oktel, M. Ozgur

2016-05-01

We consider two parallel layers of dipolar ultracold Fermi gases at different temperatures and calculate the heat transfer between them. The effective interactions describing screening and correlation effects between the dipoles in a single layer are modelled within the Euler-Lagrange Fermi-hypernetted chain approximation. The random-phase approximation is employed for the interactions across the layers. We investigate the amount of transferred power between the layers as a function of the temperature difference. Energy transfer proceeds via the long-range dipole-dipole interactions. A simple thermal model is developed to investigate the feasibility of using the contactless sympathetic cooling of the ultracold polar atoms/molecules. Our calculations indicate that dipolar heat transfer is effective for typical polar molecule experiments and may be utilized as a cooling process. Supported by TUBA and TUBITAK (112T974).

Interfacial behavior of polymer electrolytes

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

Kerr, John; Kerr, John B.; Han, Yong Bong

2003-06-03

Evidence is presented concerning the effect of surfaces on the segmental motion of PEO-based polymer electrolytes in lithium batteries. For dry systems with no moisture the effect of surfaces of nano-particle fillers is to inhibit the segmental motion and to reduce the lithium ion transport. These effects also occur at the surfaces in composite electrodes that contain considerable quantities of carbon black nano-particles for electronic connection. The problem of reduced polymer mobility is compounded by the generation of salt concentration gradients within the composite electrode. Highly concentrated polymer electrolytes have reduced transport properties due to the increased ionic cross-linking. Combinedmore » with the interfacial interactions this leads to the generation of low mobility electrolyte layers within the electrode and to loss of capacity and power capability. It is shown that even with planar lithium metal electrodes the concentration gradients can significantly impact the interfacial impedance. The interfacial impedance of lithium/PEO-LiTFSI cells varies depending upon the time elapsed since current was turned off after polarization. The behavior is consistent with relaxation of the salt concentration gradients and indicates that a portion of the interfacial impedance usually attributed to the SEI layer is due to concentrated salt solutions next to the electrode surfaces that are very resistive. These resistive layers may undergo actual phase changes in a non-uniform manner and the possible role of the reduced mobility polymer layers in dendrite initiation and growth is also explored. It is concluded that PEO and ethylene oxide-based polymers are less than ideal with respect to this interfacial behavior.« less

Interfacial Interactions in Monolayer and Few-Layer SnS/CH3 NH3 PbI3 Perovskite van der Waals Heterostructures and Their Effects on Electronic and Optical Properties.

PubMed

Li, Jian-Cai; Wei, Zeng-Xi; Huang, Wei-Qing; Ma, Li-Li; Hu, Wangyu; Peng, Ping; Huang, Gui-Fang

2018-02-05

A high light-absorption coefficient and long-range hot-carrier transport of hybrid organic-inorganic perovskites give huge potential to their composites in solar energy conversion and environmental protection. Understanding interfacial interactions and their effects are paramount for designing perovskite-based heterostructures with desirable properties. Herein, we systematically investigated the interfacial interactions in monolayer and few-layer SnS/CH 3 NH 3 PbI 3 heterostructures and their effects on the electronic and optical properties of these structures by density functional theory. It was found that the interfacial interactions in SnS/CH 3 NH 3 PbI 3 heterostructures were van der Waals (vdW) interactions, and they were found to be insensitive to the layer number of 2D SnS sheets. Interestingly, although their band gap decreased upon increasing the layer number of SnS, the near-gap electronic states and optical absorption spectra of these heterostructures were found to be strikingly similar. This feature was determined to be critical for the design of 2D layered SnS-based heterostructures. Strong absorption in the ultraviolet and visible-light regions, type II staggered band alignment at the interface, and few-layer SnS as an active co-catalyst make 2D SnS/CH 3 NH 3 PbI 3 heterostructures promising candidates for photocatalysis, photodetectors, and solar energy harvesting and conversion. These results provide first insight into the nature of interfacial interactions and are useful for designing hybrid organic-inorganic perovskite-based devices with novel properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhancement of the Device Performance and the Stability with a Homojunction-structured Tungsten Indium Zinc Oxide Thin Film Transistor.

PubMed

Park, Hyun-Woo; Song, Aeran; Choi, Dukhyun; Kim, Hyung-Jun; Kwon, Jang-Yeon; Chung, Kwun-Bum

2017-09-14

Tungsten-indium-zinc-oxide thin-film transistors (WIZO-TFTs) were fabricated using a radio frequency (RF) co-sputtering system with two types of source/drain (S/D)-electrode material of conducting WIZO (homojunction structure) and the indium-tin oxide (ITO) (heterojunction structure) on the same WIZO active-channel layer. The electrical properties of the WIZO layers used in the S/D electrode and the active-channel layer were adjusted through oxygen partial pressure during the deposition process. To explain enhancements of the device performance and stability of the homojunction-structured WIZO-TFT, a systematic investigation of correlation between device performance and physical properties at the interface between the active layer and the S/D electrodes such as the contact resistance, surface/interfacial roughness, interfacial-trap density, and interfacial energy-level alignments was conducted. The homojunction-structured WIZO-TFT exhibited a lower contact resistance, smaller interfacial-trap density, and flatter interfacial roughness than the WIZO-TFT with the heterojunction structure. The 0.09 eV electron barrier of the homojunction-structured WIZO-TFT is lower than the 0.21 eV value that was obtained for the heterojunction-structured WIZO-TFT. This reduced electron barrier may be attributed to enhancements of device performance and stability, that are related to the carrier transport.

Improved Gate Dielectric Deposition and Enhanced Electrical Stability for Single-Layer MoS2 MOSFET with an AlN Interfacial Layer.

PubMed

Qian, Qingkai; Li, Baikui; Hua, Mengyuan; Zhang, Zhaofu; Lan, Feifei; Xu, Yongkuan; Yan, Ruyue; Chen, Kevin J

2016-06-09

Transistors based on MoS2 and other TMDs have been widely studied. The dangling-bond free surface of MoS2 has made the deposition of high-quality high-k dielectrics on MoS2 a challenge. The resulted transistors often suffer from the threshold voltage instability induced by the high density traps near MoS2/dielectric interface or inside the gate dielectric, which is detrimental for the practical applications of MoS2 metal-oxide-semiconductor field-effect transistor (MOSFET). In this work, by using AlN deposited by plasma enhanced atomic layer deposition (PEALD) as an interfacial layer, top-gate dielectrics as thin as 6 nm for single-layer MoS2 transistors are demonstrated. The AlN interfacial layer not only promotes the conformal deposition of high-quality Al2O3 on the dangling-bond free MoS2, but also greatly enhances the electrical stability of the MoS2 transistors. Very small hysteresis (ΔVth) is observed even at large gate biases and high temperatures. The transistor also exhibits a low level of flicker noise, which clearly originates from the Hooge mobility fluctuation instead of the carrier number fluctuation. The observed superior electrical stability of MoS2 transistor is attributed to the low border trap density of the AlN interfacial layer, as well as the small gate leakage and high dielectric strength of AlN/Al2O3 dielectric stack.

Thermal Transport at Solid-Liquid Interfaces: High Pressure Facilitates Heat Flow through Nonlocal Liquid Structuring.

PubMed

Han, Haoxue; Mérabia, Samy; Müller-Plathe, Florian

2017-05-04

The integration of three-dimensional microelectronics is hampered by overheating issues inherent to state-of-the-art integrated circuits. Fundamental understanding of heat transfer across soft-solid interfaces is important for developing efficient heat dissipation capabilities. At the microscopic scale, the formation of a dense liquid layer at the solid-liquid interface decreases the interfacial heat resistance. We show through molecular dynamics simulations of n-perfluorohexane on a generic wettable surface that enhancement of the liquid structure beyond a single adsorbed layer drastically enhances interfacial heat conductance. Pressure is used to control the extent of the liquid layer structure. The interfacial thermal conductance increases with pressure values up to 16.2 MPa at room temperature. Furthermore, it is shown that liquid structuring enhances the heat-transfer rate of high-energy lattice waves by broadening the transmission peaks in the heat flux spectrum. Our results show that pressure is an important external parameter that may be used to control interfacial heat conductance at solid-soft interfaces.

Influence of cluster–support interactions on reactivity of size-selected Nb xO y clusters

DOE PAGES

Nakayama, Miki; Xue, Meng; An, Wei; ...

2015-04-17

Size-selected niobium oxide nanoclusters (Nb 3O 5, Nb 3O 7, Nb 4O 7, and Nb 4O 10) were deposited at room temperature onto a Cu(111) surface and a thin film of Cu 2O on Cu(111), and their interfacial electronic interactions and reactivity toward water dissociation were examined. These clusters were specifically chosen to elucidate the effects of the oxidation state of the metal centers; Nb 3O 5 and Nb 4O 7 are the reduced counterparts of Nb 3O 7 and Nb 4O 10, respectively. From two-photon photoemission spectroscopy (2PPE) measurements, we found that the work function increases upon cluster adsorptionmore » in all cases, indicating a negative interfacial dipole moment with the positive end pointing into the surface. The amount of increase was greater for the clusters with more metal centers and higher oxidation state. Additional analysis with DFT calculations of the clusters on Cu(111) indicated that the reduced clusters donate electrons to the substrate, indicating that the intrinsic cluster dipole moment makes a larger contribution to the overall interfacial dipole moment than charge transfer. X-ray photoelectron spectroscopy (XPS) measurements showed that the Nb atoms of Nb 3O 7 and Nb 4O 10 are primarily Nb 5+ on Cu(111), while for the reduced Nb 3O 5 and Nb 4O 7 clusters, a mixture of oxidation states was observed on Cu(111). Temperature-programmed desorption (TPD) experiments with D 2O showed that water dissociation occurred on all systems except for the oxidized Nb 3O 7 and Nb 4O 10 clusters on the Cu 2O film. A comparison of our XPS and TPD results suggests that Nb 5+ cations associated with Nb=O terminal groups act as Lewis acid sites which are key for water binding and subsequent dissociation. TPD measurements of 2-propanol dehydration also show that the clusters active toward water dissociation are indeed acidic. DFT calculations of water dissociation on Nb 3O 7 support our TPD results, but the use of bulk Cu 2O(111) as a model for the Cu 2O film merits future scrutiny in terms of interfacial charge transfer. The combination of our experimental and theoretical results suggests that both Lewis acidity and metal reducibility are important for water dissociation.« less

Oxidized film structure and method of making epitaxial metal oxide structure

DOEpatents

Gan, Shupan [Richland, WA; Liang, Yong [Richland, WA

2003-02-25

A stable oxidized structure and an improved method of making such a structure, including an improved method of making an interfacial template for growing a crystalline metal oxide structure, are disclosed. The improved method comprises the steps of providing a substrate with a clean surface and depositing a metal on the surface at a high temperature under a vacuum to form a metal-substrate compound layer on the surface with a thickness of less than one monolayer. The compound layer is then oxidized by exposing the compound layer to essentially oxygen at a low partial pressure and low temperature. The method may further comprise the step of annealing the surface while under a vacuum to further stabilize the oxidized film structure. A crystalline metal oxide structure may be subsequently epitaxially grown by using the oxidized film structure as an interfacial template and depositing on the interfacial template at least one layer of a crystalline metal oxide.

Band Offsets and Interfacial Properties of HfAlO Gate Dielectric Grown on InP by Atomic Layer Deposition.

PubMed

Yang, Lifeng; Wang, Tao; Zou, Ying; Lu, Hong-Liang

2017-12-01

X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy have been used to determine interfacial properties of HfO 2 and HfAlO gate dielectrics grown on InP by atomic layer deposition. An undesirable interfacial InP x O y layer is easily formed at the HfO 2 /InP interface, which can severely degrade the electrical performance. However, an abrupt interface can be achieved when the growth of the HfAlO dielectric on InP starts with an ultrathin Al 2 O 3 layer. The valence and conduction band offsets for HfAlO/InP heterojunctions have been determined to be 1.87 ± 0.1 and 2.83 ± 0.1 eV, respectively. These advantages make HfAlO a potential dielectric for InP MOSFETs.

Drop impact on liquid film: dynamics of interfacial gas layer

NASA Astrophysics Data System (ADS)

Tang, Xiaoyu; Saha, Abhishek; Law, Chung K.; Sun, Chao

2016-11-01

Drop impacting liquid film is commonly observed in many processes including inkjet printing and thermal sprays. Owing to the resistance from the interfacial gas layer trapped between the drop and film surface, impact may not always result in coalescence; and as such investigating the behavior of the interfacial gas layer is important to understand the transition between bouncing and merging outcomes. The gas layer is, however, not easily optically accessible due to its microscopic scale and curved interfaces. We report the measurement of this critical gas layer thickness between two liquid surfaces using high-speed color interferometry capable of measuring micron and submicron thicknesses. The complete gas layer dynamics for the bouncing cases can be divided into two stages: the approaching stage when the drop squeezes the gas layer at the beginning of the impact, and the rebounding stage when the drop retracts and rebounds from the liquid film. The approaching stage is found to be similar across wide range of conditions studied. However, for the rebounding stage, with increase of liquid film thickness, the evolution of gas layer changes dramatically, displaying a non-monotonic behavior. Such dynamics is analyzed in lights of various competing timescales.

The role of the hydrophobic phase in the unique rheological properties of saponin adsorption layers.

PubMed

Golemanov, Konstantin; Tcholakova, Slavka; Denkov, Nikolai; Pelan, Eddie; Stoyanov, Simeon D

2014-09-28

Saponins are a diverse class of natural, plant derived surfactants, with peculiar molecular structure consisting of a hydrophobic scaffold and one or several hydrophilic oligosaccharide chains. Saponins have strong surface activity and are used as natural emulsifiers and foaming agents in food and beverage, pharmaceutical, ore processing, and other industries. Many saponins form adsorption layers at the air-water interface with extremely high surface elasticity and viscosity. The molecular origin of the observed unique interfacial visco-elasticity of saponin adsorption layers is of great interest from both scientific and application viewpoints. In the current study we demonstrate that the hydrophobic phase in contact with water has a very strong effect on the interfacial properties of saponins and that the interfacial elasticity and viscosity of the saponin adsorption layers decrease in the order: air > hexadecane ≫ tricaprylin. The molecular mechanisms behind these trends are analyzed and discussed in the context of the general structure of the surfactant adsorption layers at various nonpolar phase-water interfaces.

Ultrathin ZnS and ZnO Interfacial Passivation Layers for Atomic-Layer-Deposited HfO2 Films on InP Substrates.

PubMed

Kim, Seung Hyun; Joo, So Yeong; Jin, Hyun Soo; Kim, Woo-Byoung; Park, Tae Joo

2016-08-17

Ultrathin ZnS and ZnO films grown by atomic layer deposition (ALD) were employed as interfacial passivation layers (IPLs) for HfO2 films on InP substrates. The interfacial layer growth during the ALD of the HfO2 film was effectively suppressed by the IPLs, resulting in the decrease of electrical thickness, hysteresis, and interface state density. Compared with the ZnO IPL, the ZnS IPL was more effective in reducing the interface state density near the valence band edge. The leakage current density through the film was considerably lowered by the IPLs because the film crystallization was suppressed. Especially for the film with the ZnS IPL, the leakage current density in the low-voltage region was significantly lower than that observed for the film with the ZnO IPL, because the direct tunneling current was suppressed by the higher conduction band offset of ZnS with the InP substrate.

Band alignment of ZnO/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy

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

Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn; He, Jiazhu; Chen, Le

2016-08-15

The energy band alignment between ZnO and multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The ZnO film was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 3.32 eV and a conduction band offset (CBO) of 1.12 eV were obtained for the ZnO/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the ZnO/ML-MoS{sub 2} interface were found to be 3.54 eV and 1.34 eV, respectively. With the CHF{sub 3} plasma treatment, the band alignment of the ZnO/ML-MoS{sub 2} interface hasmore » been changed from type II or staggered band alignment to type III or misaligned one, which favors the electron-hole pair separation. The band alignment difference is believed to be dominated by the down-shift in the core level of Zn 2p or the interface dipoles, which is caused by the interfacial layer rich in F.« less

Effect of Interfacial Molecular Orientation on Power Conversion Efficiency of Perovskite Solar Cells.

PubMed

Xiao, Minyu; Joglekar, Suneel; Zhang, Xiaoxian; Jasensky, Joshua; Ma, Jialiu; Cui, Qingyu; Guo, L Jay; Chen, Zhan

2017-03-08

A wide variety of charge carrier dynamics, such as transport, separation, and extraction, occur at the interfaces of planar heterojunction solar cells. Such factors can affect the overall device performance. Therefore, understanding the buried interfacial molecular structure in various devices and the correlation between interfacial structure and function has become increasingly important. Current characterization techniques for thin films such as X-ray diffraction, cross section scanning electronmicroscopy, and UV-visible absorption spectroscopy are unable to provide the needed molecular structural information at buried interfaces. In this study, by controlling the structure of the hole transport layer (HTL) in a perovskite solar cell and applying a surface/interface-sensitive nonlinear vibrational spectroscopic technique (sum frequency generation vibrational spectroscopy (SFG)), we successfully probed the molecular structure at the buried interface and correlated its structural characteristics to solar cell performance. Here, an edge-on (normal to the interface) polythiophene (PT) interfacial molecular orientation at the buried perovskite (photoactive layer)/PT (HTL) interface showed more than two times the power conversion efficiency (PCE) of a lying down (tangential) PT interfacial orientation. The difference in interfacial molecular structure was achieved by altering the alkyl side chain length of the PT derivatives, where PT with a shorter alkyl side chain showed an edge-on interfacial orientation with a higher PCE than that of PT with a longer alkyl side chain. With similar band gap alignment and bulk structure within the PT layer, it is believed that the interfacial molecular structural variation (i.e., the orientation difference) of the various PT derivatives is the underlying cause of the difference in perovskite solar cell PCE.

Schottky barrier at graphene/metal oxide interfaces: insight from first-principles calculations

NASA Astrophysics Data System (ADS)

Cheng, Kai; Han, Nannan; Su, Yan; Zhang, Junfeng; Zhao, Jijun

2017-02-01

Anode materials play an important role in determining the performance of lithium ion batteries. In experiment, graphene (GR)/metal oxide (MO) composites possess excellent electrochemical properties and are promising anode materials. Here we perform density functional theory calculations to explore the interfacial interaction between GR and MO. Our result reveals generally weak physical interactions between GR and several MOs (including Cu2O, NiO). The Schottky barrier height (SBH) in these metal/semiconductor heterostructures are computed using the macroscopically averaged electrostatic potential method, and the role of interfacial dipole is discussed. The calculated SBHs below 1 eV suggest low contact resistance; thus these GR/MO composites are favorable anode materials for better lithium ion batteries.

Schottky barrier at graphene/metal oxide interfaces: insight from first-principles calculations.

PubMed

Cheng, Kai; Han, Nannan; Su, Yan; Zhang, Junfeng; Zhao, Jijun

2017-02-06

Anode materials play an important role in determining the performance of lithium ion batteries. In experiment, graphene (GR)/metal oxide (MO) composites possess excellent electrochemical properties and are promising anode materials. Here we perform density functional theory calculations to explore the interfacial interaction between GR and MO. Our result reveals generally weak physical interactions between GR and several MOs (including Cu2O, NiO). The Schottky barrier height (SBH) in these metal/semiconductor heterostructures are computed using the macroscopically averaged electrostatic potential method, and the role of interfacial dipole is discussed. The calculated SBHs below 1 eV suggest low contact resistance; thus these GR/MO composites are favorable anode materials for better lithium ion batteries.

Decreased Charge Transport Barrier and Recombination of Organic Solar Cells by Constructing Interfacial Nanojunction with Annealing-Free ZnO and Al Layers.

PubMed

Liu, Chunyu; Zhang, Dezhong; Li, Zhiqi; Zhang, Xinyuan; Guo, Wenbin; Zhang, Liu; Ruan, Shengping; Long, Yongbing

2017-07-05

To overcome drawbacks of the electron transport layer, such as complex surface defects and unmatched energy levels, we successfully employed a smart semiconductor-metal interfacial nanojunciton in organic solar cells by evaporating an ultrathin Al interlayer onto annealing-free ZnO electron transport layer, resulting in a high fill factor of 73.68% and power conversion efficiency of 9.81%. The construction of ZnO-Al nanojunction could effectively fill the surface defects of ZnO and reduce its work function because of the electron transfer from Al to ZnO by Fermi level equilibrium. The filling of surface defects decreased the interfacial carrier recombination in midgap trap states. The reduced surface work function of ZnO-Al remodulated the interfacial characteristics between ZnO and [6,6]-phenyl C71-butyric acid methyl ester (PC 71 BM), decreasing or even eliminating the interfacial barrier against the electron transport, which is beneficial to improve the electron extraction capacity. The filled surface defects and reduced interfacial barrier were realistically observed by photoluminescence measurements of ZnO film and the performance of electron injection devices, respectively. This work provides a simple and effective method to simultaneously solve the problems of surface defects and unmatched energy level for the annealing-free ZnO or other metal oxide semiconductors, paving a way for the future popularization in photovoltaic devices.

Epoxy resin reinforced with nanothin polydopamine-coated carbon nanotubes: a study of the interfacial polymer layer thickness

DOE PAGES

Ling, Yang; Li, Weizhen; Wang, Baoyu; ...

2016-03-29

Carbon nanotubes (CNTs) functionalized by a nanothin poly(dopamine) (PDA) layer were produced by a one-pot, nondestructive approach, with direct polymerization of dopamine on the CNT surface. The thickness of the PDA layer can be well-controlled by the reaction time and the proportion of dopamine, and this thickness is found to be the key factor in controlling the dispersion of CNTs and the extent of the interfacial interactions between the CNT@PDA and epoxy resin. SEM results indicated that the dispersion of CNTs in epoxy was improved significantly by coating a nanothin PDA layer onto the CNT surface. In agreeme nt withmore » this finding, the CNTs functionalized with the thinnest PDA layer provided the best mechanical and thermal properties. This result confirmed that a thinner PDA layer could provide optimized interfacial interactions between the CNT@PDA and epoxy matrix and weaken the self-agglomeration of CNTs, which led to an improved effective stress and heat transfer between the CNTs and the polymer matrix.« less

Molecular dynamics simulation aiming at interfacial characteristics of polymer chains on nanotubes with different layers

NASA Astrophysics Data System (ADS)

Li, Kun; Gu, Boqin; Zhu, Wanfu

2017-03-01

A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube layers on the nanotubes/polymer interactions are examined. Each of the situation result and surface features is characterized by binding energy (Eb). It is shown that the binding energy (Eb) increase with the number of layers.

Synthesis and characterization of self-assembled monolayers on gold generated from partially fluorinated alkanethiols and aliphatic dithiocarboxylic acids

NASA Astrophysics Data System (ADS)

Colorado, Ramon, Jr.

The formation of novel self-assembled monolayers (SAMs) on gold from the adsorption of four distinct series of partially fluorinated alkanethiols (PFAs) and one series of chelating aliphatic dithiocarboxylic acids (ADTCAs) is reported. The SAMs were characterized by optical ellipsometry, contact angle goniometry, polarization modulation infrared absorption spectroscopy (PM-IRRAS), and X-ray photoelectron spectroscopy (XPS). The results for the PFA SAMs provided evidence for both the importance of oriented surface dipoles in influencing interfacial wettabilities and the significance of the degree of fluorination of the PFAs in determining the dispersive interfacial energies of the films. In addition, a series of PFA SAMs was used to demonstrate that the attenuation lengths of photoelectrons in fluorocarbon films are indistinguishable from those in hydrocarbon films. The results for the ADTCA SAMs demonstrated that the use of a chelating headgroup induces structural changes within the monolayers that influence the interfacial properties of the films.

Chemical potential and compressibility of quantum Hall bilayer excitons,.

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

Skinner, Brian

2016-02-25

I consider a system of two parallel quantum Hall layers with total filling factor 0 or 1. When the distance between the layers is small enough, electrons and holes in opposite layers can form inter-layer excitons, which have a finite effective mass and interact via a dipole-dipole potential. I present results for the chemical potential u of the resulting bosonic system as a function of the exciton concentration n and the interlayer separation d. I show that both u and the interlayer capacitance have an unusual nonmonotonic dependence on d, owing to the interplay between an increasing dipole moment andmore » an increasing effective mass with increasing d. Finally, I discuss the transition between the superfluid and Wigner crystal phases, which is shown to occur at d x n-1/10. Results are derived first via simple intuitive arguments, and then verified with more careful analytic derivations and numeric calculations.« less

Intrinsic Two-Dimensional Ferroelectricity with Dipole Locking

NASA Astrophysics Data System (ADS)

Xiao, Jun; Zhu, Hanyu; Wang, Ying; Feng, Wei; Hu, Yunxia; Dasgupta, Arvind; Han, Yimo; Wang, Yuan; Muller, David A.; Martin, Lane W.; Hu, PingAn; Zhang, Xiang

2018-06-01

Out-of-plane ferroelectricity with a high transition temperature in ultrathin films is important for the exploration of new domain physics and scaling down of memory devices. However, depolarizing electrostatic fields and interfacial chemical bonds can destroy this long-range polar order at two-dimensional (2D) limit. Here we report the experimental discovery of the locking between out-of-plane dipoles and in-plane lattice asymmetry in atomically thin In2Se3 crystals, a new stabilization mechanism leading to our observation of intrinsic 2D out-of-plane ferroelectricity. Through second harmonic generation spectroscopy and piezoresponse force microscopy, we found switching of out-of-plane electric polarization requires a flip of nonlinear optical polarization that corresponds to the inversion of in-plane lattice orientation. The polar order shows a very high transition temperature (˜700 K ) without the assistance of extrinsic screening. This finding of intrinsic 2D ferroelectricity resulting from dipole locking opens up possibilities to explore 2D multiferroic physics and develop ultrahigh density memory devices.

Observation of Pull-in Instability in Graphene Membranes under Interfacial Forces

NASA Astrophysics Data System (ADS)

Liu, Xinghui; Boddeti, Narasimha; Szpunar, Mariah; Wang, Luda; Rodriguez, Miguel; Long, Rong; Xiao, Jianliang; Dunn, Martin; Bunch, Scott; Jianliang Xiao'S Collaboration; Scott Bunch's Team; Martin Dunn's Team

2014-03-01

We present a unique experimental configuration that allows us to determine the interfacial forces on nearly parallel plates made from single and few layer graphene membranes. Our approach consists of using a pressure difference across a graphene membrane to bring the membrane to within ~ 10-20 nm above a circular post covered with SiOx or Au until a critical point is reached whereby the membrane snaps into adhesive contact with the post. Continuous measurements of the deforming membrane with an AFM coupled with a theoretical model allow us to deduce the magnitude of the interfacial forces between graphene and SiOx and graphene and Au. The nature of the interfacial forces at ~ 10 - 20 nm separations is consistent with an inverse fourth power distance dependence, implying that the interfacial forces are dominated by van der Waals interactions. Furthermore, the strength of the interactions is found to increase linearly with the number of graphene layers. The experimental approach can be applied to measure the strength of the interfacial forces for other emerging atomically thin two-dimensional materials.

Solution-processed small molecule:fullerene bulk-heterojunction solar cells: impedance spectroscopy deduced bulk and interfacial limits to fill-factors.

PubMed

Guerrero, Antonio; Loser, Stephen; Garcia-Belmonte, Germà; Bruns, Carson J; Smith, Jeremy; Miyauchi, Hiroyuki; Stupp, Samuel I; Bisquert, Juan; Marks, Tobin J

2013-10-21

Using impedance spectroscopy, we demonstrate that the low fill factor (FF) typically observed in small molecule solar cells is due to hindered carrier transport through the active layer and hindered charge transfer through the anode interfacial layer (IFL). By carefully tuning the active layer thickness and anode IFL in BDT(TDPP)2 solar cells, the FF is increased from 33 to 55% and the PCE from 1.9 to 3.8%. These results underscore the importance of simultaneously optimizing active layer thickness and IFL in small molecule solar cells.

Non-mean-field theory of anomalously large double layer capacitance

NASA Astrophysics Data System (ADS)

Loth, M. S.; Skinner, Brian; Shklovskii, B. I.

2010-07-01

Mean-field theories claim that the capacitance of the double layer formed at a metal/ionic conductor interface cannot be larger than that of the Helmholtz capacitor, whose width is equal to the radius of an ion. However, in some experiments the apparent width of the double layer capacitor is substantially smaller. We propose an alternate non-mean-field theory of the ionic double layer to explain such large capacitance values. Our theory allows for the binding of discrete ions to their image charges in the metal, which results in the formation of interface dipoles. We focus primarily on the case where only small cations are mobile and other ions form an oppositely charged background. In this case, at small temperature and zero applied voltage dipoles form a correlated liquid on both contacts. We show that at small voltages the capacitance of the double layer is determined by the transfer of dipoles from one electrode to the other and is therefore limited only by the weak dipole-dipole repulsion between bound ions so that the capacitance is very large. At large voltages the depletion of bound ions from one of the capacitor electrodes triggers a collapse of the capacitance to the much smaller mean-field value, as seen in experimental data. We test our analytical predictions with a Monte Carlo simulation and find good agreement. We further argue that our “one-component plasma” model should work well for strongly asymmetric ion liquids. We believe that this work also suggests an improved theory of pseudocapacitance.

Unexpected structural and magnetic depth dependence of YIG thin films

NASA Astrophysics Data System (ADS)

Cooper, J. F. K.; Kinane, C. J.; Langridge, S.; Ali, M.; Hickey, B. J.; Niizeki, T.; Uchida, K.; Saitoh, E.; Ambaye, H.; Glavic, A.

2017-09-01

We report measurements on yttrium iron garnet (YIG) thin films grown on both gadolinium gallium garnet (GGG) and yttrium aluminum garnet (YAG) substrates, with and without thin Pt top layers. We provide three principal results: the observation of an interfacial region at the Pt/YIG interface, we place a limit on the induced magnetism of the Pt layer, and confirm the existence of an interfacial layer at the GGG/YIG interface. Polarized neutron reflectometry (PNR) was used to give depth dependence of both the structure and magnetism of these structures. We find that a thin film of YIG on GGG is best described by three distinct layers: an interfacial layer near the GGG, around 5 nm thick and nonmagnetic, a magnetic "bulk" phase, and a nonmagnetic and compositionally distinct thin layer near the surface. We theorize that the bottom layer, which is independent of the film thickness, is caused by Gd diffusion. The top layer is likely to be extremely important in inverse spin Hall effect measurements, and is most likely Y2O3 or very similar. Magnetic sensitivity in the PNR to any induced moment in the Pt is increased by the existence of the Y2O3 layer; any moment is found to be less than 0.02 μB/atom .

Symmetric Simple Map with Dipole Map for a Single-Null Divertor Tokamak

NASA Astrophysics Data System (ADS)

Ali, Halima; Watson, Michael; Punjabi, Alkesh; Boozer, Allen

1996-11-01

This investigation focuses on the effects of an externally placed dipole coil on the magnetic topology of a single-null divertor tokamak with a stochastic scrape-off layer using the Method of Maps (Punjabi A, Verma A and Boozer A, Phys Rev Lett), 69, 3322 (1992) and J Plasma Phys, 52, 91 (1994). The unperturbed magnetic topology is represented by the Symmetric Simple Map (Ali H, Watson M, Mayer C, Punjabi A and Boozer A, Bull Am Phys Soc), 40, 1855 (1995). The effect of dipole perturbation is repesented by the Dipole Map (Ali H, Watson M, Punjabi A and Boozer A, Sherwood Mtg), paper 1C20 (1996). A single dipole coil is placed across from the X-point below the last good surface. The strength of the dipole perturbation and the distance of the coil from the last good surface are varied. We observe that the dipole perturbation causes spatially intermittent chaos. This has significant implications for radiative divertor concepts as well for impurity control. We also present the detailed results on the effects of the dipole coil on the properties of the stochastic layer and the footprint of the field lines on the divertor plate. This work is supported by the US DOE OFES.

Interfacial layers from the protein HFBII hydrophobin: dynamic surface tension, dilatational elasticity and relaxation times.

PubMed

Alexandrov, Nikola A; Marinova, Krastanka G; Gurkov, Theodor D; Danov, Krassimir D; Kralchevsky, Peter A; Stoyanov, Simeon D; Blijdenstein, Theodorus B J; Arnaudov, Luben N; Pelan, Eddie G; Lips, Alex

2012-06-15

The pendant-drop method (with drop-shape analysis) and Langmuir trough are applied to investigate the characteristic relaxation times and elasticity of interfacial layers from the protein HFBII hydrophobin. Such layers undergo a transition from fluid to elastic solid films. The transition is detected as an increase in the error of the fit of the pendant-drop profile by means of the Laplace equation of capillarity. The relaxation of surface tension after interfacial expansion follows an exponential-decay law, which indicates adsorption kinetics under barrier control. The experimental data for the relaxation time suggest that the adsorption rate is determined by the balance of two opposing factors: (i) the barrier to detachment of protein molecules from bulk aggregates and (ii) the attraction of the detached molecules by the adsorption layer due to the hydrophobic surface force. The hydrophobic attraction can explain why a greater surface coverage leads to a faster adsorption. The relaxation of surface tension after interfacial compression follows a different, square-root law. Such behavior can be attributed to surface diffusion of adsorbed protein molecules that are condensing at the periphery of interfacial protein aggregates. The surface dilatational elasticity, E, is determined in experiments on quick expansion or compression of the interfacial protein layers. At lower surface pressures (<11 mN/m) the experiments on expansion, compression and oscillations give close values of E that are increasing with the rise of surface pressure. At higher surface pressures, E exhibits the opposite tendency and the data are scattered. The latter behavior can be explained with a two-dimensional condensation of adsorbed protein molecules at the higher surface pressures. The results could be important for the understanding and control of dynamic processes in foams and emulsions stabilized by hydrophobins, as well as for the modification of solid surfaces by adsorption of such proteins. Copyright © 2012 Elsevier Inc. All rights reserved.

Interfacial Structures of Trihexyltetradecylphosphonium-bis(mandelato)borate Ionic Liquid Confined between Gold Electrodes.

PubMed

Wang, Yong-Lei; Golets, Mikhail; Li, Bin; Sarman, Sten; Laaksonen, Aatto

2017-02-08

Atomistic molecular dynamics simulations have been performed to study microscopic the interfacial ionic structures, molecular arrangements, and orientational preferences of trihexyltetradecylphosphonium-bis(mandelato)borate ([P 6,6,6,14 ][BMB]) ionic liquid confined between neutral and charged gold electrodes. It was found that both [P 6,6,6,14 ] cations and [BMB] anions are coabsorbed onto neutral electrodes at different temperatures. The hexyl and tetradecyl chains in [P 6,6,6,14 ] cations lie preferentially flat on neutral electrodes. The oxalato and phenyl rings in [BMB] anions are characterized by alternative parallel-perpendicular orientations in the mixed innermost ionic layer adjacent to neutral electrodes. An increase in temperature has a marginal effect on the interfacial ionic structures and molecular orientations of [P 6,6,6,14 ][BMB] ionic species in a confined environment. Electrifying gold electrodes leads to peculiar changes in the interfacial ionic structures and molecular orientational arrangements of [P 6,6,6,14 ] cations and [BMB] anions in negatively and positively charged gold electrodes, respectively. As surface charge density increases (but lower than 20 μC/cm 2 ), the layer thickness of the mixed innermost interfacial layer gradually increases due to a consecutive accumulation of [P 6,6,6,14 ] cations and [BMB] anions at negatively and positively charged electrodes, respectively, before the formation of distinct cationic and anionic innermost layers. Meanwhile, the molecular orientations of two oxalato rings in the same [BMB] anions change gradually from a parallel-perpendicular feature to being partially characterized by a tilted arrangement at an angle of 45° from the electrodes and finally to a dominant parallel coordination pattern along positively charged electrodes. Distinctive interfacial distribution patterns are also observed accordingly for phenyl rings that are directly connected to neighboring oxalato rings in [BMB] anions.

Thermodynamics, interfacial pressure isotherms and dilational rheology of mixed protein-surfactant adsorption layers.

PubMed

Fainerman, V B; Aksenenko, E V; Krägel, J; Miller, R

2016-07-01

Proteins and their mixtures with surfactants are widely used in many applications. The knowledge of their solution bulk behavior and its impact on the properties of interfacial layers made great progress in the recent years. Different mechanisms apply to the formation process of protein/surfactant complexes for ionic and non-ionic surfactants, which are governed mainly by electrostatic and hydrophobic interactions. The surface activity of these complexes is often remarkably different from that of the individual protein and has to be considered in respective theoretical models. At very low protein concentration, small amounts of added surfactants can change the surface activity of proteins remarkably, even though no strongly interfacial active complexes are observed. Also small added amounts of non-ionic surfactants change the surface activity of proteins in the range of small bulk concentrations or surface coverages. The modeling of the equilibrium adsorption behavior of proteins and their mixtures with surfactants has reached a rather high level. These models are suitable also to describe the high frequency limits of the dilational viscoelasticity of the interfacial layers. Depending on the nature of the protein/surfactant interactions and the changes in the interfacial layer composition rather complex dilational viscoelasticities can be observed and described by the available models. The differences in the interfacial behavior, often observed in literature for studies using different experimental methods, are at least partially explained by a depletion of proteins, surfactants and their complexes in the range of low concentrations. A correction of these depletion effects typically provides good agreement between the data obtained with different methods, such as drop and bubble profile tensiometry. Copyright © 2015 Elsevier B.V. All rights reserved.

Multi-layered proton-conducting electrolyte

DOEpatents

Lee, Tae H.; Dorris, Stephen E.; Balachandran, Uthamalingam

2017-06-27

The present invention provides a multilayer anode/electrolyte assembly comprising a porous anode substrate and a layered solid electrolyte in contact therewith. The layered solid electrolyte includes a first dense layer of yttrium-doped barium zirconate (BZY), optionally including another metal besides Y, Ba, and Zr (e.g., a lanthanide metal such as Pr) on one surface thereof, a second dense layer of yttrium-doped barium cerate (BCY), and an interfacial layer between and contacting the BZY and BCY layers. The interfacial layer comprises a solid solution of the BZY and BCY electrolytes. The porous anode substrate comprises at least one porous ceramic material that is stable to carbon dioxide and water (e.g., porous BZY), as well as an electrically conductive metal and/or metal oxide (e.g., Ni, NiO, and the like).

The origin of high PCE in PTB7 based photovoltaics: proper charge neutrality level and free energy of charge separation at PTB7/PC71BM interface

PubMed Central

Park, Soohyung; Jeong, Junkyeong; Hyun, Gyeongho; Kim, Minju; Lee, Hyunbok; Yi, Yeonjin

2016-01-01

The energy level alignments at donor/acceptor interfaces in organic photovoltaics (OPVs) play a decisive role in device performance. However, little is known about the interfacial energetics in polymer OPVs due to technical issues of the solution process. Here, the frontier ortbial line-ups at the donor/acceptor interface in high performance polymer OPVs, PTB7/PC71BM, were investigated using in situ UPS, XPS and IPES. The evolution of energy levels during PTB7/PC71BM interface formation was investigated using vacuum electrospray deposition, and was compared with that of P3HT/PC61BM. At the PTB7/PC71BM interface, the interface dipole and the band bending were absent due to their identical charge neutrality levels. In contrast, a large interfacial dipole was observed at the P3HT/PC61BM interface. The measured photovoltaic energy gap (EPVG) was 1.10 eV for PTB7/PC71BM and 0.90 eV for P3HT/PC61BM. This difference in the EPVG leads to a larger open-circuit voltage of PTB7/PC71BM than that of P3HT/PC61BM. PMID:27734957

The origin of high PCE in PTB7 based photovoltaics: proper charge neutrality level and free energy of charge separation at PTB7/PC71BM interface.

PubMed

Park, Soohyung; Jeong, Junkyeong; Hyun, Gyeongho; Kim, Minju; Lee, Hyunbok; Yi, Yeonjin

2016-10-13

The energy level alignments at donor/acceptor interfaces in organic photovoltaics (OPVs) play a decisive role in device performance. However, little is known about the interfacial energetics in polymer OPVs due to technical issues of the solution process. Here, the frontier ortbial line-ups at the donor/acceptor interface in high performance polymer OPVs, PTB7/PC 71 BM, were investigated using in situ UPS, XPS and IPES. The evolution of energy levels during PTB7/PC 71 BM interface formation was investigated using vacuum electrospray deposition, and was compared with that of P3HT/PC 61 BM. At the PTB7/PC 71 BM interface, the interface dipole and the band bending were absent due to their identical charge neutrality levels. In contrast, a large interfacial dipole was observed at the P3HT/PC 61 BM interface. The measured photovoltaic energy gap (E PVG ) was 1.10 eV for PTB7/PC 71 BM and 0.90 eV for P3HT/PC 61 BM. This difference in the E PVG leads to a larger open-circuit voltage of PTB7/PC 71 BM than that of P3HT/PC 61 BM.

Impact of molybdenum out diffusion and interface quality on the performance of sputter grown CZTS based solar cells.

PubMed

Dalapati, Goutam Kumar; Zhuk, Siarhei; Masudy-Panah, Saeid; Kushwaha, Ajay; Seng, Hwee Leng; Chellappan, Vijila; Suresh, Vignesh; Su, Zhenghua; Batabyal, Sudip Kumar; Tan, Cheng Cheh; Guchhait, Asim; Wong, Lydia Helena; Wong, Terence Kin Shun; Tripathy, Sudhiranjan

2017-05-02

We have investigated the impact of Cu 2 ZnSnS 4 -Molybdenum (Mo) interface quality on the performance of sputter-grown Cu 2 ZnSnS 4 (CZTS) solar cell. Thin film CZTS was deposited by sputter deposition technique using stoichiometry quaternary CZTS target. Formation of molybdenum sulphide (MoS x ) interfacial layer is observed in sputter grown CZTS films after sulphurization. Thickness of MoS x layer is found ~142 nm when CZTS layer (550 nm thick) is sulphurized at 600 °C. Thickness of MoS x layer significantly increased to ~240 nm in case of thicker CZTS layer (650 nm) under similar sulphurization condition. We also observe that high temperature (600 °C) annealing suppress the elemental impurities (Cu, Zn, Sn) at interfacial layer. The amount of out-diffused Mo significantly varies with the change in sulphurization temperature. The out-diffused Mo into CZTS layer and reconstructed interfacial layer remarkably decreases series resistance and increases shunt resistance of the solar cell. The overall efficiency of the solar cell is improved by nearly five times when 600 °C sulphurized CZTS layer is applied in place of 500 °C sulphurized layer. Molybdenum and sulphur diffusion reconstruct the interface layer during heat treatment and play the major role in charge carrier dynamics of a photovoltaic device.

Improved Gate Dielectric Deposition and Enhanced Electrical Stability for Single-Layer MoS2 MOSFET with an AlN Interfacial Layer

PubMed Central

Qian, Qingkai; Li, Baikui; Hua, Mengyuan; Zhang, Zhaofu; Lan, Feifei; Xu, Yongkuan; Yan, Ruyue; Chen, Kevin J.

2016-01-01

Transistors based on MoS2 and other TMDs have been widely studied. The dangling-bond free surface of MoS2 has made the deposition of high-quality high-k dielectrics on MoS2 a challenge. The resulted transistors often suffer from the threshold voltage instability induced by the high density traps near MoS2/dielectric interface or inside the gate dielectric, which is detrimental for the practical applications of MoS2 metal-oxide-semiconductor field-effect transistor (MOSFET). In this work, by using AlN deposited by plasma enhanced atomic layer deposition (PEALD) as an interfacial layer, top-gate dielectrics as thin as 6 nm for single-layer MoS2 transistors are demonstrated. The AlN interfacial layer not only promotes the conformal deposition of high-quality Al2O3 on the dangling-bond free MoS2, but also greatly enhances the electrical stability of the MoS2 transistors. Very small hysteresis (ΔVth) is observed even at large gate biases and high temperatures. The transistor also exhibits a low level of flicker noise, which clearly originates from the Hooge mobility fluctuation instead of the carrier number fluctuation. The observed superior electrical stability of MoS2 transistor is attributed to the low border trap density of the AlN interfacial layer, as well as the small gate leakage and high dielectric strength of AlN/Al2O3 dielectric stack. PMID:27279454

Mechanical loading regulates human MSC differentiation in a multi-layer hydrogel for osteochondral tissue engineering.

PubMed

Steinmetz, Neven J; Aisenbrey, Elizabeth A; Westbrook, Kristofer K; Qi, H Jerry; Bryant, Stephanie J

2015-07-01

A bioinspired multi-layer hydrogel was developed for the encapsulation of human mesenchymal stem cells (hMSCs) as a platform for osteochondral tissue engineering. The spatial presentation of biochemical cues, via incorporation of extracellular matrix analogs, and mechanical cues, via both hydrogel crosslink density and externally applied mechanical loads, were characterized in each layer. A simple sequential photopolymerization method was employed to form stable poly(ethylene glycol)-based hydrogels with a soft cartilage-like layer of chondroitin sulfate and low RGD concentrations, a stiff bone-like layer with high RGD concentrations, and an intermediate interfacial layer. Under a compressive load, the variation in hydrogel stiffness within each layer produced high strains in the soft cartilage-like layer, low strains in the stiff bone-like layer, and moderate strains in the interfacial layer. When hMSC-laden hydrogels were cultured statically in osteochondral differentiation media, the local biochemical and matrix stiffness cues were not sufficient to spatially guide hMSC differentiation after 21 days. However dynamic mechanical stimulation led to differentially high expression of collagens with collagen II in the cartilage-like layer, collagen X in the interfacial layer and collagen I in the bone-like layer and mineral deposits localized to the bone layer. Overall, these findings point to external mechanical stimulation as a potent regulator of hMSC differentiation toward osteochondral cellular phenotypes. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Electric control of magnetism at the Fe/BaTiO 3 interface

DOE PAGES

Radaelli, G.; Petti, D.; Plekhanov, E.; ...

2014-03-03

Interfacial magnetoelectric coupling (MEC) is a viable path to achieve electrical writing of magnetic information in spintronic devices. For the prototypical Fe/BaTiO 3 (BTO) system, only tiny changes of the interfacial Fe magnetic moment upon reversal of the BTO dielectric polarization have been predicted so far. Here, by using X-ray magnetic circular dichroism in combination with high resolution electron microscopy and first principles calculations, we report on an undisclosed physical mechanism for interfacial MEC in the Fe/BTO system. At the Fe/BTO interface, an ultrathin FeO x layer exists, whose magnetization can be electrically and reversibly switched on-off at room-temperature bymore » reversing the BTO polarization. The suppression / recovery of interfacial ferromagnetism results from the asymmetric effect that ionic displacements in BTO produces on the exchange coupling constants in the adjacent FeOx layer. The observed giant magnetoelectric response holds potential for optimizing interfacial MEC in view of efficient, low-power spintronic devices.« less

Toward ab initio molecular dynamics modeling for sum-frequency generation spectra; an efficient algorithm based on surface-specific velocity-velocity correlation function.

PubMed

Ohto, Tatsuhiko; Usui, Kota; Hasegawa, Taisuke; Bonn, Mischa; Nagata, Yuki

2015-09-28

Interfacial water structures have been studied intensively by probing the O-H stretch mode of water molecules using sum-frequency generation (SFG) spectroscopy. This surface-specific technique is finding increasingly widespread use, and accordingly, computational approaches to calculate SFG spectra using molecular dynamics (MD) trajectories of interfacial water molecules have been developed and employed to correlate specific spectral signatures with distinct interfacial water structures. Such simulations typically require relatively long (several nanoseconds) MD trajectories to allow reliable calculation of the SFG response functions through the dipole moment-polarizability time correlation function. These long trajectories limit the use of computationally expensive MD techniques such as ab initio MD and centroid MD simulations. Here, we present an efficient algorithm determining the SFG response from the surface-specific velocity-velocity correlation function (ssVVCF). This ssVVCF formalism allows us to calculate SFG spectra using a MD trajectory of only ∼100 ps, resulting in the substantial reduction of the computational costs, by almost an order of magnitude. We demonstrate that the O-H stretch SFG spectra at the water-air interface calculated by using the ssVVCF formalism well reproduce those calculated by using the dipole moment-polarizability time correlation function. Furthermore, we applied this ssVVCF technique for computing the SFG spectra from the ab initio MD trajectories with various density functionals. We report that the SFG responses computed from both ab initio MD simulations and MD simulations with an ab initio based force field model do not show a positive feature in its imaginary component at 3100 cm(-1).

Recent Advances in Interface Engineering for Planar Heterojunction Perovskite Solar Cells.

PubMed

Yin, Wei; Pan, Lijia; Yang, Tingbin; Liang, Yongye

2016-06-25

Organic-inorganic hybrid perovskite solar cells are considered as one of the most promising next-generation solar cells due to their advantages of low-cost precursors, high power conversion efficiency (PCE) and easy of processing. In the past few years, the PCEs have climbed from a few to over 20% for perovskite solar cells. Recent developments demonstrate that perovskite exhibits ambipolar semiconducting characteristics, which allows for the construction of planar heterojunction (PHJ) perovskite solar cells. PHJ perovskite solar cells can avoid the use of high-temperature sintered mesoporous metal oxides, enabling simple processing and the fabrication of flexible and tandem perovskite solar cells. In planar heterojunction materials, hole/electron transport layers are introduced between a perovskite film and the anode/cathode. The hole and electron transporting layers are expected to enhance exciton separation, charge transportation and collection. Further, the supporting layer for the perovskite film not only plays an important role in energy-level alignment, but also affects perovskite film morphology, which have a great effect on device performance. In addition, interfacial layers also affect device stability. In this review, recent progress in interfacial engineering for PHJ perovskite solar cells will be reviewed, especially with the molecular interfacial materials. The supporting interfacial layers for the optimization of perovskite films will be systematically reviewed. Finally, the challenges remaining in perovskite solar cells research will be discussed.

Comparative study on nitridation and oxidation plasma interface treatment for AlGaN/GaN MIS-HEMTs with AlN gate dielectric

NASA Astrophysics Data System (ADS)

Zhu, Jie-Jie; Ma, Xiao-Hua; Hou, Bin; Chen, Li-Xiang; Zhu, Qing; Hao, Yue

2017-02-01

This paper demonstrated the comparative study on interface engineering of AlN/AlGaN/GaN metal-insulator-semiconductor high-electron-mobility transistors (MIS-HEMTs) by using plasma interface pre-treatment in various ambient gases. The 15 nm AlN gate dielectric grown by plasma-enhanced atomic layer deposition significantly suppressed the gate leakage current by about two orders of magnitude and increased the peak field-effect mobility by more than 50%. NH3/N2 nitridation plasma treatment (NPT) was used to remove the 3 nm poor-quality interfacial oxide layer and N2O/N2 oxidation plasma treatment (OPT) to improve the quality of interfacial layer, both resulting in improved dielectric/barrier interface quality, positive threshold voltage (V th) shift larger than 0.9 V, and negligible dispersion. In comparison, however, NPT led to further decrease in interface charges by 3.38 × 1012 cm-2 and an extra positive V th shift of 1.3 V. Analysis with fat field-effect transistors showed that NPT resulted in better sub-threshold characteristics and transconductance linearity for MIS-HEMTs compared with OPT. The comparative study suggested that direct removing the poor interfacial oxide layer by nitridation plasma was superior to improving the quality of interfacial layer by oxidation plasma for the interface engineering of GaN-based MIS-HEMTs.

Load sharing in bioinspired fibrillar adhesives with backing layer interactions and interfacial misalignment

NASA Astrophysics Data System (ADS)

Bacca, Mattia; Booth, Jamie A.; Turner, Kimberly L.; McMeeking, Robert M.

2016-11-01

Bio-inspired fibrillar adhesives rely on the utilization of short-range intermolecular forces harnessed by intimate contact at fibril tips. The combined adhesive strength of multiple fibrils can only be utilized if equal load sharing (ELS) is obtained at detachment. Previous investigations have highlighted that mechanical coupling of fibrils through a compliant backing layer gives rise to load concentration and the nucleation and propagation of interfacial flaws. However, misalignment of the adhesive and contacting surface has not been considered in theoretical treatments of load sharing with backing layer interactions. Alignment imperfections are difficult to avoid for a flat-on-flat interfacial configuration. In this work we demonstrate that interfacial misalignment can significantly alter load sharing and the kinematics of detachment in a model adhesive system. Load sharing regimes dominated by backing layer interactions and misalignment are revealed, the transition between which is controlled by the misalignment angle, fibril separation, and fibril compliance. In the regime dominated by misalignment, backing layer deformation can counteract misalignment giving rise to improved load sharing when compared to an identical fibrillar array with a rigid backing layer. This result challenges the conventional belief that stiffer (and thinner) backing layers consistently reduce load concentration among fibrils. Finally, we obtain analytically the fibril compliance distribution required to harness backing layer interactions to obtain ELS. Through fibril compliance optimization, ELS can be obtained even with misalignment. However, since misalignment is typically not deterministic, it is of greater practical significance that the array optimized for perfect alignment exhibits load sharing superior to that of a homogeneous array subject to misalignment. These results inform the design of fibrillar arrays with graded compliance capable of exhibiting improved load sharing over large areas.

Structure and orientation of interfacial proteins determined by sum frequency generation vibrational spectroscopy: method and application.

PubMed

Ye, Shuji; Wei, Feng; Li, Hongchun; Tian, Kangzhen; Luo, Yi

2013-01-01

In situ and real-time characterization of molecular structures and orientation of proteins at interfaces is essential to understand the nature of interfacial protein interaction. Such work will undoubtedly provide important clues to control biointerface in a desired manner. Sum frequency generation vibrational spectroscopy (SFG-VS) has been demonstrated to be a powerful technique to study the interfacial structures and interactions at the molecular level. This paper first systematically introduced the methods for the calculation of the Raman polarizability tensor, infrared transition dipole moment, and SFG molecular hyperpolarizability tensor elements of proteins/peptides with the secondary structures of α-helix, 310-helix, antiparallel β-sheet, and parallel β-sheet, as well as the methodology to determine the orientation of interfacial protein secondary structures using SFG amide I spectra. After that, recent progresses on the determination of protein structure and orientation at different interfaces by SFG-VS were then reviewed, which provides a molecular-level understanding of the structures and interactions of interfacial proteins, specially understanding the nature of driving force behind such interactions. Although this review has focused on analysis of amide I spectra, it will be expected to offer a basic idea for the spectral analysis of amide III SFG signals and other complicated molecular systems such as RNA and DNA. Copyright © 2013 Elsevier Inc. All rights reserved.

Mechanical properties of protein adsorption layers at the air/water and oil/water interface: a comparison in light of the thermodynamical stability of proteins.

PubMed

Mitropoulos, Varvara; Mütze, Annekathrin; Fischer, Peter

2014-04-01

Over the last decades numerous studies on the interfacial rheological response of protein adsorption layers have been published. The comparison of these studies and the retrieval of a common parameter to compare protein interfacial activity are hampered by the fact that different boundary conditions (e.g. physico-chemical, instrumental, interfacial) were used. In the present work we review previous studies and attempt a unifying approach for the comparison between bulk protein properties and their adsorption films. Among many common food grade proteins we chose bovine serum albumin, β-lactoglobulin and lysozyme for their difference in thermodynamic stability and studied their adsorption at the air/water and limonene/water interface. In order to achieve this we have i) systematically analyzed protein adsorption kinetics in terms of surface pressure rise using a drop profile analysis tensiometer and ii) we addressed the interfacial layer properties under shear stress using an interfacial shear rheometer under the same experimental conditions. We could show that thermodynamically less stable proteins adsorb generally faster and yield films with higher shear rheological properties at air/water interface. The same proteins showed an analog behavior when adsorbing at the limonene/water interface but at slower rates. Copyright © 2013 Elsevier B.V. All rights reserved.

Minimizing performance degradation induced by interfacial recombination in perovskite solar cells through tailoring of the transport layer electronic properties

NASA Astrophysics Data System (ADS)

Xu, Liang; Molaei Imenabadi, Rouzbeh; Vandenberghe, William G.; Hsu, Julia W. P.

2018-03-01

The performance of hybrid organic-inorganic metal halide perovskite solar cells is investigated using one-dimensional drift-diffusion device simulations. We study the effects of interfacial defect density, doping concentration, and electronic level positions of the charge transport layer (CTL). Choosing CTLs with a favorable band alignment, rather than passivating CTL-perovskite interfacial defects, is shown to be beneficial for maintaining high power-conversion efficiency, due to reduced minority carrier density arising from a favorable local electric field profile. Insights from this study provide theoretical guidance on practical selection of CTL materials for achieving high-performance perovskite solar cells.

Specific effects of Ca2+ ions and molecular structure of β-lactoglobulin interfacial layers that drive macroscopic foam stability† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sm00636a Click here for additional data file.

PubMed Central

Schulze-Zachau, Felix; Nagel, Eva; Engelhardt, Kathrin; Stoyanov, Stefan; Gochev, Georgi; Khristov, Khr.; Mileva, Elena; Exerowa, Dotchi; Miller, Reinhard; Peukert, Wolfgang

2016-01-01

β-Lactoglobulin (BLG) adsorption layers at air–water interfaces were studied in situ with vibrational sum-frequency generation (SFG), tensiometry, surface dilatational rheology and ellipsometry as a function of bulk Ca2+ concentration. The relation between the interfacial molecular structure of adsorbed BLG and the interactions with the supporting electrolyte is additionally addressed on higher length scales along the foam hierarchy – from the ubiquitous air–water interface through thin foam films to macroscopic foam. For concentrations <1 mM, a strong decrease in SFG intensity from O–H stretching bands and a slight increase in layer thickness and surface pressure are observed. A further increase in Ca2+ concentrations above 1 mM causes an apparent change in the polarity of aromatic C–H stretching vibrations from interfacial BLG which we associate to a charge reversal at the interface. Foam film measurements show formation of common black films at Ca2+ concentrations above 1 mM due to considerable decrease of the stabilizing electrostatic disjoining pressure. These observations also correlate with a minimum in macroscopic foam stability. For concentrations >30 mM Ca2+, micrographs of foam films show clear signatures of aggregates which tend to increase the stability of foam films. Here, the interfacial layers have a higher surface dilatational elasticity. In fact, macroscopic foams formed from BLG dilutions with high Ca2+ concentrations where aggregates and interfacial layers with higher elasticity are found, showed the highest stability with much smaller bubble sizes. PMID:27337699

Studying interfacial reactions of cholesterol sulfate in an unsaturated phosphatidylglycerol layer with ozone using field induced droplet ionization mass spectrometry.

PubMed

Ko, Jae Yoon; Choi, Sun Mi; Rhee, Young Min; Beauchamp, J L; Kim, Hugh I

2012-01-01

Field-induced droplet ionization (FIDI) is a recently developed ionization technique that can transfer ions from the surface of microliter droplets to the gas phase intact. The air-liquid interfacial reactions of cholesterol sulfate (CholSO(4)) in a 1-palmitoyl-2-oleoyl-sn-phosphatidylglycerol (POPG) surfactant layer with ozone (O(3)) are investigated using field-induced droplet ionization mass spectrometry (FIDI-MS). Time-resolved studies of interfacial ozonolysis of CholSO(4) reveal that water plays an important role in forming oxygenated products. An epoxide derivative is observed as a major product of CholSO(4) oxidation in the FIDI-MS spectrum after exposure of the droplet to O(3) for 5 s. The abundance of the epoxide product then decreases with continued O(3) exposure as the finite number of water molecules at the air-liquid interface becomes exhausted. Competitive oxidation of CholSO(4) and POPG is observed when they are present together in a lipid surfactant layer at the air-liquid interface. Competitive reactions of CholSO(4) and POPG with O(3) suggest that CholSO(4) is present with POPG as a well-mixed interfacial layer. Compared with CholSO(4) and POPG alone, the overall ozonolysis rates of both CholSO(4) and POPG are reduced in a mixed layer, suggesting the double bonds of both molecules are shielded by additional hydrocarbons from one another. Molecular dynamics simulations of a monolayer comprising POPG and CholSO(4) correlate well with experimental observations and provide a detailed picture of the interactions between CholSO(4), lipids, and water molecules in the interfacial region. © American Society for Mass Spectrometry, 2011

In situ creation of reactive polymer nanoparticles and resulting polymer layers formed at the interfaces of liquid crystals (Conference Presentation)

NASA Astrophysics Data System (ADS)

Kang, Shin-Woong; Kundu, Sudarshan; Park, Heung-Shik; Oh, Keun Chan; Lyu, Jae Jin

2017-02-01

We report the in situ creation of reactive polymer nanoparticles and resulting polymer networks formed at the interfaces of liquid crystals. It is known that polymerization-induced phase separation proceeds in two distinct regimes depending on the concentration of monomer. For a high monomer concentration, phase separation occurs mainly through the spinodal decomposition process, consequently resulting in interpenetrating polymer networks. For a dilute system, however, the phase separation mainly proceeds and completes in the binodal decomposition regime. The system resembles the aggregation process of colloidal particle. In this case, the reaction kinetics is limited by the reaction between in situ created polymer aggregates and hence the network morphologies are greatly influenced by the diffusion of reactive polymer particles. The thin polymer layers localized at the surface of substrate are inevitably observed and can be comprehended by the interfacial adsorption and further cross-linking reaction of reactive polymer aggregates at the interface. This process provides a direct perception on understanding polymer stabilized liquid crystals accomplished by the interfacial polymer layer. The detailed study has been performed for an extremely dilute condition (below 0.5 wt%) by employing systematic experimental approaches. Creation and growth of polymer nanoparticles have been measured by particle size analyzer. The interfacial localization of polymer aggregates and resulting interfacial layer formation with a tens of nanometer scale have been exploited at various interfaces such as liquid-solid, liquid-liquid, and liquid-gas interfaces. The resulting interfacial layers have been characterized by using fuorescent confocal microscope and field emission scanning electron microscope. The detailed processes of the polymer stabilized vertically aligned liquid crystals will be discussed in support of the reported study.

Interfacial behaviour of biopolymer multilayers: Influence of in vitro digestive conditions.

PubMed

Corstens, Meinou N; Osorio Caltenco, Lilia A; de Vries, Renko; Schroën, Karin; Berton-Carabin, Claire C

2017-05-01

Although multilayered emulsions have been related to reduced lipolysis, the involved interfacial phenomena have never been studied directly. In this work, we systematically built multilayers of whey protein and pectin, which we further subjected to digestive conditions, using two different techniques: droplet volume tensiometry to investigate interfacial rheology, and reflectometry to determine the amount of adsorbed material. Interfacial tension and dilatational rheology were linked to adsorption/desorption kinetics measured under static in vitro conditions. The interfacial tension and rheology of the multilayers was rather similar to those found for single whey protein layers, as well as their resistance to duodenal conditions and lipolytic components, which is explained by the rapid destabilisation of multilayers at neutral pH. Sequential adsorption of bile extract or lipase to pre-adsorbed films rapidly lowered the interfacial tension via co-adsorption and displacement, forming a viscoelastic film with low mechanical strength, and highly dynamic adsorption/desorption. When both were present, bile salts dominated the initial adsorption, followed by lipase co-adsorption and formation of lipolysis products that further lowered the interfacial tension, forming a complex interface (including biopolymers, bile salts, lipase, and lipolysis products), independent of pre-adsorbed biopolymer layers. Our study shows that the combination of drop volume tensiometry and reflectometry can be used to study complex interfacial behaviours under digestive conditions, which can lead to smart design of interfacial structures for controlled lipolysis in food emulsions. Copyright © 2017 Elsevier B.V. All rights reserved.

Polyethyleneimine High-Energy Hydrophilic Surface Interfacial Treatment toward Efficient and Stable Perovskite Solar Cells.

PubMed

Li, Pengwei; Liang, Chao; Zhang, Yiqiang; Li, Fengyu; Song, Yanlin; Shao, Guosheng

2016-11-30

The interfacial contact is critical for the performance of perovskite solar cells (PSCs), leading to dense perovskite thin films and efficient charge transport. In this contribution, an effective interfacial treatment solution using polyethyleneimine (PEI) was developed to improve the performance and stability of PSCs. Inserting PEI between the s-VO x and perovskite layers can produce a high-energy hydrophilic surface to facilitate the formation of a high-quality perovskite layer by the solution method. Accordingly, the surface coverage of perovskite film on the s-VO x layer increased from 80% to 95%, and the PCE of the device improved from 12.06% (with an average of 10.16%) to 14.4% (with an average value of 12.8%) under an irradiance of 100 mW cm -2 AM 1.5G sunlight. More importantly, the stability of PSCs was further improved after adding another PEI layer between the electron transport layer and LiF/Al layer, less than 10% decay in efficiency during a 10-days observation. Since all layers of the PSCs were fabricated at low temperature (<150 °C), these PEI-treated PSCs based on the amorphous VO x layer have the potential to contribute significantly toward the development of efficient and stable solar cells on flexible substrates.

Atomic layer deposition of insulating nitride interfacial layers for germanium metal oxide semiconductor field effect transistors with high-κ oxide/tungsten nitride gate stacks

NASA Astrophysics Data System (ADS)

Kim, Kyoung H.; Gordon, Roy G.; Ritenour, Andrew; Antoniadis, Dimitri A.

2007-05-01

Atomic layer deposition (ALD) was used to deposit passivating interfacial nitride layers between Ge and high-κ oxides. High-κ oxides on Ge surfaces passivated by ultrathin (1-2nm) ALD Hf3N4 or AlN layers exhibited well-behaved C-V characteristics with an equivalent oxide thickness as low as 0.8nm, no significant flatband voltage shifts, and midgap density of interface states values of 2×1012cm-1eV-1. Functional n-channel and p-channel Ge field effect transistors with nitride interlayer/high-κ oxide/metal gate stacks are demonstrated.

Spatially Resolved Imaging on Photocarrier Generations and Band Alignments at Perovskite/PbI2 Heterointerfaces of Perovskite Solar Cells by Light-Modulated Scanning Tunneling Microscopy.

PubMed

Shih, Min-Chuan; Li, Shao-Sian; Hsieh, Cheng-Hua; Wang, Ying-Chiao; Yang, Hung-Duen; Chiu, Ya-Ping; Chang, Chia-Seng; Chen, Chun-Wei

2017-02-08

The presence of the PbI 2 passivation layers at perovskite crystal grains has been found to considerably affect the charge carrier transport behaviors and device performance of perovskite solar cells. This work demonstrates the application of a novel light-modulated scanning tunneling microscopy (LM-STM) technique to reveal the interfacial electronic structures at the heterointerfaces between CH 3 NH 3 PbI 3 perovskite crystals and PbI 2 passivation layers of individual perovskite grains under light illumination. Most importantly, this technique enabled the first observation of spatially resolved mapping images of photoinduced interfacial band bending of valence bands and conduction bands and the photogenerated electron and hole carriers at the heterointerfaces of perovskite crystal grains. By systematically exploring the interfacial electronic structures of individual perovskite grains, enhanced charge separation and reduced back recombination were observed when an optimal design of interfacial PbI 2 passivation layers consisting of a thickness less than 20 nm at perovskite crystal grains was applied.

Efficient CsF interlayer for high and low bandgap polymer solar cell

NASA Astrophysics Data System (ADS)

Mitul, Abu Farzan; Sarker, Jith; Adhikari, Nirmal; Mohammad, Lal; Wang, Qi; Khatiwada, Devendra; Qiao, Qiquan

2018-02-01

Low bandgap polymer solar cells have a great deal of importance in flexible photovoltaic market to absorb sun light more efficiently. Efficient wide bandgap solar cells are always available in nature to absorb visible photons. The development and incorporation of infrared photovoltaics (IR PV) with wide bandgap solar cells can improve overall solar device performance. Here, we have developed an efficient low bandgap polymer solar cell with CsF as interfacial layer in regular structure. Polymer solar cell devices with CsF shows enhanced performance than Ca as interfacial layer. The power conversion efficiency of 4.5% has been obtained for PDPP3T based polymer solar cell with CsF as interlayer. Finally, an optimal thickness with CsF as interfacial layer has been found to improve the efficiency in low bandgap polymer solar cells.

Acoustic dipole radiation based electrical impedance contrast imaging approach of magnetoacoustic tomography with magnetic induction.

PubMed

Sun, Xiaodong; Fang, Dawei; Zhang, Dong; Ma, Qingyu

2013-05-01

Different from the theory of acoustic monopole spherical radiation, the acoustic dipole radiation based theory introduces the radiation pattern of Lorentz force induced dipole sources to describe the principle of magnetoacoustic tomography with magnetic induction (MAT-MI). Although two-dimensional (2D) simulations have been studied for cylindrical phantom models, layer effects of the dipole sources within the entire object along the z direction still need to be investigated to evaluate the performance of MAT-MI for different geometric specifications. The purpose of this work is further verifying the validity and generality of acoustic dipole radiation based theory for MAT-MI with two new models in different shapes, dimensions, and conductivities. Based on the theory of acoustic dipole radiation, the principles of MAT-MI were analyzed with derived analytic formulae. 2D and 3D numerical studies for two new models of aluminum foil and cooked egg were conducted to simulate acoustic pressures and corresponding waveforms, and 2D images of the scanned layers were reconstructed with the simplified back projection algorithm for the waveforms collected around the models. The spatial resolution for conductivity boundary differentiation was also analyzed with different foil thickness. For comparison, two experimental measurements were conducted for a cylindrical aluminum foil phantom and a shell-peeled cooked egg. The collected waveforms and the reconstructed images of the scanned layers were achieved to verify the validation of the acoustic dipole radiation based theory for MAT-MI. Despite the difference between the 2D and 3D simulated pressures, good consistence of the collected waveforms proves that wave clusters are generated by the abrupt pressure changes with bipolar vibration phases, representing the opposite polarities of the conductivity changes along the measurement direction. The configuration of the scanned layer can be reconstructed in terms of shape and size, and the conductivity boundaries are displayed in stripes with different contrast and bipolar intensities. Layer effects are demonstrated to have little influence on the collected waveforms and the reconstructed images of the scanned layers for the two new models. The experimental results have good agreements with numerical simulations, and the reconstructed 2D images provide conductivity configurations in the scanned layers of the aluminum foil and the egg models. It can be concluded that the acoustic pressure of MAT-MI is produced by the divergence of the induced Lorentz force, and the collected waveforms comprise wave clusters with bipolar vibration phases and different amplitudes, providing the information of conductivity boundaries in the scanned layer. With the simplified back projection algorithm for diffraction sources, collected waveforms can be used to reconstruct 2D conductivity contrast image and the conductivity configuration in the scanned layer can be obtained in terms of shape and size in stripes with the spatial resolution of the acoustic wavelength. The favorable results further verify the validity and generality of the acoustic dipole radiation based theory and suggest the feasibility of MAT-MI as an effective electrical impedance contrast imaging approach for medical imaging.

Local epitaxial growth of ZrO2 on Ge (100) substrates by atomic layer epitaxy

NASA Astrophysics Data System (ADS)

Kim, Hyoungsub; Chui, Chi On; Saraswat, Krishna C.; McIntyre, Paul C.

2003-09-01

High-k dielectric deposition processes for gate dielectric preparation on Si surfaces usually result in the unavoidable and uncontrolled formation of a thin interfacial oxide layer. Atomic layer deposition of ˜55-Å ZrO2 film on a Ge (100) substrate using ZrCl4 and H2O at 300 °C was found to produce local epitaxial growth [(001) Ge//(001) ZrO2 and [100] Ge//[100] ZrO2] without a distinct interfacial layer, unlike the situation observed when ZrO2 is deposited using the same method on Si. Relatively large lattice mismatch (˜10%) between ZrO2 and Ge produced a high areal density of interfacial misfit dislocations. Large hysteresis (>200 mV) and high frequency dispersion were observed in capacitance-voltage measurements due to the high density of interface states. However, a low leakage current density, comparable to values obtained on Si substrates, was observed with the same capacitance density regardless of the high defect density.

Two-Layer Viscous Shallow-Water Equations and Conservation Laws

NASA Astrophysics Data System (ADS)

Kanayama, Hiroshi; Dan, Hiroshi

In our previous papers, the two-layer viscous shallow-water equations were derived from the three-dimensional Navier-Stokes equations under the hydrostatic assumption. Also, it was noted that the combination of upper and lower equations in the two-layer model produces the classical one-layer equations if the density of each layer is the same. Then, the two-layer equations were approximated by a finite element method which followed our numerical scheme established for the one-layer model in 1978. Also, it was numerically demonstrated that the interfacial instability generated when the densities are the same can be eliminated by providing a sufficient density difference. In this paper, we newly show that conservation laws are still valid in the two-layer model. Also, we show results of a new physical experiment for the interfacial instability.

Microscale X-ray tomographic investigation of the interfacial morphology between the catalyst and micro porous layers in proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Prass, Sebastian; Hasanpour, Sadegh; Sow, Pradeep Kumar; Phillion, André B.; Mérida, Walter

2016-07-01

The interfacial morphology between the catalyst layer (CL) and micro porous layer (MPL) influences the performance of proton exchange membrane fuel cells (PEMFCs). Here we report a direct method to investigate the CL-MPL interfacial morphology of stacked and compressed gas diffusion layer (GDL with MPL)-catalyst coated membrane (CCM) assemblies. The area, origin and dimensions of interfacial gaps are studied with high-resolution X-ray micro computed tomography (X-μCT). The projected gap area (fraction of the CL-MPL interface separated by gaps) is higher for GDL-CCM assemblies with large differences in the surface roughness between CL and MPL but reduces with increasing compression and similarity in roughness. Relatively large continuous gaps are found in proximity to cracks in the MPL. These are hypothesized to form due to the presence of large pores on the surface of the GDL. Smaller gaps are induced by the surface roughness features throughout the CL-MPL interface. By modification of the pore sizes on the GDL surface serving as substrate for the MPL, the number and dimension of MPL crack induced gaps can be manipulated. Moreover, adjusting the CL and MPL surface roughness parameters to achieve similar orders of roughness can improve the surface mating characteristics of these two components.

The Effect of Interface Roughness and Oxide Film Thickness on the Inelastic Response of Thermal Barrier Coatings to Thermal Cycling

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob; Arnold, Steven M.

1999-01-01

The effects of interfacial roughness and oxide film thickness on thermally-induced stresses in plasma-sprayed thermal barrier coatings subjected to thermal cycling are investigated using the recently developed higher-order theory for functionally graded materials. The higher-order theory is shown to be a viable alternative to the finite-element approach, capable of modeling different interfacial roughness architectures in the presence of an aluminum oxide layer and capturing the high stress gradients that occur at the top coat/bond coat interface. The oxide layer thickness is demonstrated to have a substantially greater effect on the evolution of residual stresses than local variations in interfacial roughness. Further, the location of delamination initiation in the top coat is predicted to change with increasing oxide layer thickness. This result can be used to optimize the thickness of a pre-oxidized layer introduced at the top coat/bond coat interface in order to enhance TBC durability as suggested by some researchers. The results of our investigation also support a recently proposed hypothesis regarding delamination initiation and propagation in the presence of an evolving bond coat oxidation, while pointing to the importance of interfacial roughness details and specimen geometry in modeling this phenomenon.

Phase constitution in the interfacial region of laser penetration brazed magnesium–steel joints

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

Miao, Yugang; Han, Duanfeng, E-mail: handuanfeng@gmail.com; Xu, Xiangfang

2014-07-01

The phase constitution in the interfacial region of laser penetration brazed magnesium–steel joints was investigated using electron microscopy. From the distribution of elements, the transition zone was mainly composed of elements Mg and Fe along with some Al and O. Furthermore, the transition layer consisted mainly of intermetallic compounds and metal oxides. The compounds were identified as Al-rich phases, such as Mg{sub 17}Al{sub 12}, Mg{sub 2}Al{sub 3}, FeAl and Fe{sub 4}Al{sub 13}. More noteworthy was that the thickness of the transition layer was determined by Fe–Al compounds. The presence of FeAl and Fe{sub 4}Al{sub 13} was a result of themore » complex processes that were associated with the interfacial reaction of solid steel and liquid Mg–Al alloy. - Highlights: • A technology of laser penetration brazed Mg alloy and steel has been developed. • The interface of Mg/Fe dissimilar joints was investigated using electron microscopy. • The transition layer consisted of intermetallic compounds and metal oxides. • Moreover, the thickness of transition layer was determined by Fe/Al compounds. • The presence of FeAl and Fe{sub 4}Al{sub 13} was associated with the interfacial reaction.« less

Use of interfacial layers to prolong hole lifetimes in hematite probed by ultrafast transient absorption spectroscopy

NASA Astrophysics Data System (ADS)

Paradzah, Alexander T.; Diale, Mmantsae; Maabong, Kelebogile; Krüger, Tjaart P. J.

2018-04-01

Hematite is a widely investigated material for applications in solar water oxidation due primarily to its small bandgap. However, full realization of the material continues to be hampered by fast electron-hole recombination rates among other weaknesses such as low hole mobility, short hole diffusion length and low conductivity. To address the problem of fast electron-hole recombination, researchers have resorted to growth of nano-structured hematite, doping and use of under-layers. Under-layer materials enhance the photo-current by minimising electron-hole recombination through suppressing of back electron flow from the substrate, such as fluorine-doped tin oxide (FTO), to hematite. We have carried out ultrafast transient absorption spectroscopy on hematite in which Nb2O5 and SnO2 materials were used as interfacial layers to enhance hole lifetimes. The transient absorption data was fit with four different lifetimes ranging from a few hundred femtoseconds to a few nanoseconds. We show that the electron-hole recombination is slower in samples where interfacial layers are used than in pristine hematite. We also develop a model through target analysis to illustrate the effect of under-layers on electron-hole recombination rates in hematite thin films.

Organic heterojunctions: Contact-induced molecular reorientation, interface states, and charge re-distribution

PubMed Central

Opitz, Andreas; Wilke, Andreas; Amsalem, Patrick; Oehzelt, Martin; Blum, Ralf-Peter; Rabe, Jürgen P.; Mizokuro, Toshiko; Hörmann, Ulrich; Hansson, Rickard; Moons, Ellen; Koch, Norbert

2016-01-01

We reveal the rather complex interplay of contact-induced re-orientation and interfacial electronic structure – in the presence of Fermi-level pinning – at prototypical molecular heterojunctions comprising copper phthalocyanine (H16CuPc) and its perfluorinated analogue (F16CuPc), by employing ultraviolet photoelectron and X-ray absorption spectroscopy. For both layer sequences, we find that Fermi-level (EF) pinning of the first layer on the conductive polymer substrate modifies the work function encountered by the second layer such that it also becomes EF-pinned, however, at the interface towards the first molecular layer. This results in a charge transfer accompanied by a sheet charge density at the organic/organic interface. While molecules in the bulk of the films exhibit upright orientation, contact formation at the heterojunction results in an interfacial bilayer with lying and co-facial orientation. This interfacial layer is not EF-pinned, but provides for an additional density of states at the interface that is not present in the bulk. With reliable knowledge of the organic heterojunction’s electronic structure we can explain the poor performance of these in photovoltaic cells as well as their valuable function as charge generation layer in electronic devices. PMID:26887445

Interfacially Optimized, High Energy Density Nanoparticle-Polymer Composites for Capacitive Energy Storage

NASA Astrophysics Data System (ADS)

Shipman, Joshua; Riggs, Brian; Luo, Sijun; Adireddy, Shiva; Chrisey, Douglas

Energy storage is a green energy technology, however it must be cost effective and scalable to meet future energy demands. Polymer-nanoparticle composites are low cost and potentially offer high energy storage. This is based on the high breakdown strength of polymers and the high dielectric constant of ceramic nanoparticles, but the incoherent nature of the interface between the two components prevents the realization of their combined full potential. We have created inkjet printable nanoparticle-polymer composites that have mitigated many of these interface effects, guided by first principle modelling of the interface. We detail density functional theory modelling of the interface and how it has guided our use in in specific surface functionalizations and other inorganic layers. We have validated our approach by using finite element analysis of the interface. By choosing the correct surface functionalization we are able to create dipole traps which further increase the breakdown strength of our composites. Our nano-scale understanding has allowed us to create the highest energy density composites currently available (>40 J/cm3).

Low temperature thermal ALD of a SiNx interfacial diffusion barrier and interface passivation layer on SixGe1- x(001) and SixGe1- x(110)

NASA Astrophysics Data System (ADS)

Edmonds, Mary; Sardashti, Kasra; Wolf, Steven; Chagarov, Evgueni; Clemons, Max; Kent, Tyler; Park, Jun Hong; Tang, Kechao; McIntyre, Paul C.; Yoshida, Naomi; Dong, Lin; Holmes, Russell; Alvarez, Daniel; Kummel, Andrew C.

2017-02-01

Atomic layer deposition of a silicon rich SiNx layer on Si0.7Ge0.3(001), Si0.5Ge0.5(001), and Si0.5Ge0.5(110) surfaces has been achieved by sequential pulsing of Si2Cl6 and N2H4 precursors at a substrate temperature of 285 °C. XPS spectra show a higher binding energy shoulder peak on Si 2p indicative of SiOxNyClz bonding while Ge 2p and Ge 3d peaks show only a small amount of higher binding energy components consistent with only interfacial bonds, indicating the growth of SiOxNy on the SiGe surface with negligible subsurface reactions. Scanning tunneling spectroscopy measurements confirm that the SiNx interfacial layer forms an electrically passive surface on p-type Si0.70Ge0.30(001), Si0.50Ge0.50(110), and Si0.50Ge0.50(001) substrates as the surface Fermi level is unpinned and the electronic structure is free of states in the band gap. DFT calculations show that a Si rich a-SiO0.4N0,4 interlayer can produce lower interfacial defect density than stoichiometric a-SiO0.8N0.8, substoichiometric a-Si3N2, or stoichiometric a-Si3N4 interlayers by minimizing strain and bond breaking in the SiGe by the interlayer. Metal-oxide-semiconductor capacitors devices were fabricated on p-type Si0.7Ge0.3(001) and Si0.5Ge0.5(001) substrates with and without the insertion of an ALD SiOxNy interfacial layer, and the SiOxNy layer resulted in a decrease in interface state density near midgap with a comparable Cmax value.

Nanostructured double-layer FeO as nanotemplate for tuning adsorption of titanyl phthalocyanine molecules

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

Lu, Shuangzan; University of Chinese Academy of Sciences, Beijing 100049; Qin, Zhihui, E-mail: zhqin@wipm.ac.cn

2014-06-23

The growth, structure of Pt(111) supported double-layer FeO and the adsorption of titanyl phthalocyanine (TiOPc) molecules with tunable site and orientation were presented. According to the atomic-resolution STM image, the structure was rationalized as (8√3 × 8√3) R30°/Pt(111) nanostructure constructed by Fe species coordinated with different number of oxygen on top of non-rotated (8 × 8) FeO /Pt(111) structure. Due to the modulation of the stacking of Fe atoms in the second layer relative to the O atoms in the second layer and the underlying layer, the interface and total dipole moment periodically vary within (8√3 × 8√3) R30°/Pt(111) structure. The resulted periodically distributed dipole-dipole interactionmore » benefits the growth of TiOPc molecules with area-selective sites and molecular orientations. Thus, this study provides a reliable method to govern the adsorption process of the polar molecules for potential applications in future functional molecular devices.« less

Single-crystal micromachining using multiple fusion-bonded layers

NASA Astrophysics Data System (ADS)

Brown, Alan; O'Neill, Garry; Blackstone, Scott C.

2000-08-01

Multi-layer structures have been fabricated using Fusion bonding. The paper shows void free layers of between 2 and 100 microns that have been bonded to form multi-layer structures. Silicon layers have been bonded both with and without interfacial oxide layers.

Manipulating the dipole layer of polar organic molecules on metal surfaces via different charge-transfer channels

NASA Astrophysics Data System (ADS)

Lin, Meng-Kai; Nakayama, Yasuo; Zhuang, Ying-Jie; Wang, Chin-Yung; Pi, Tun-Wen; Ishii, Hisao; Tang, S.-J.

The key properties of organic films such as energy level alignment (ELA), work functions, and injection barriers are closely linked to this dipole layer. Using angle resolved photoemission spectroscopy (ARPES), we systemically investigate the coverage-dependent work functions and spectra line shapes of occupied molecular orbital states of a polar molecule, chloroaluminium phthalocyanine (ClAlPc), grown on Ag(111) to show that the orientations of the first ClAlPc layer can be manipulated via the molecule deposition rate and post annealing, causing ELA at organic-metal interface to differ for about 0.3 eV between Cl-up and Cl-down configuration. Moreover, by comparing the experimental results with the calculations based on both gas-phase model and realistic model of ClAlPc on Ag(111) , we evidence that the different orientations of ClAlPc dipole layers lead to different charge-transfer channels between ClAlPc and Ag, a key factor that controls the ELA at organic-metal interface.

Lithology and characteristic of landslide in Gombel Hill by 2D geoelectric resistivity method using dipole-dipole configuration

NASA Astrophysics Data System (ADS)

Setyawan, Agus; Satria Fikri, Muhammad; Endro Suseno, Jatmiko; Fuad, Muhamad

2018-05-01

Gombel hill locates at Semarang, Central Java, Indonesia. Base on Semarang’s susceptiblity map zone, Gombel hill is belong to high susceptibility and instability zone. Instability may cause faults to Gombel hill area, unfortunately the geosciences research in Gombel is still lack. The geophysical survey has been conducted using 2D geoelectric resistivity method with dipole – dipole configuration to identify the lithology of landslide at Gombel hill. The data have been collected from three lines. The first and third line have 100 m length, and the second line have 80 m length with 5 m space in each lines. The data were processed and modelled using Res2Dinv software. From the first line, suspected there are two layers which formed the structure of the subsurface. The second line suspected there are three layers which formed the structure of the subsurface. And the last line suspected there are two layers which formed the structure of the subsurface. Overall, the landslide of Gombel hill area can be found with depth 5 m – 6 m and found at contact between clay and clay rock layer. We expect the results can be used for mitigation hazard and planning the developing infrastructure in Gombel area.

Influence of alkyl chain length and anion species on ionic liquid structure at the graphite interface as a function of applied potential

NASA Astrophysics Data System (ADS)

Li, Hua; Wood, Ross J.; Endres, Frank; Atkin, Rob

2014-07-01

Atomic force microscopy (AFM) force measurements elucidate the effect of cation alkyl chain length and the anion species on ionic liquid (IL) interfacial structure at highly ordered pyrolytic graphite (HOPG) surfaces as a function of potential. Three ILs are examined: 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([HMIM] FAP), 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([EMIM] FAP), and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM] TFSA). The step-wise force-distance profiles indicate the ILs adopt a multilayered morphology near the surface. When the surface is biased positively or negatively versus Pt quasireference electrode, both the number of steps, and the force required to rupture each step increase, indicating stronger interfacial structure. At all potentials, push-through forces for [HMIM] FAP are the highest, because the long alkyl chain results in strong cohesive interactions between cations, leading to well-formed layers that resist the AFM tip. The most layers are observed for [EMIM] FAP, because the C2 chains are relatively rigid and the dimensions of the cation and anion are similar, facilitating neat packing. [EMIM] TFSA has the smallest push-through forces and fewest layers, and thus the weakest interfacial structure. Surface-tip attractive forces are measured for all ILs. At the same potential, the attractions are the strongest for [EMIM] TFSA and the weakest for [HMIM] FAP because the interfacial layers are better formed for the longer alkyl chain cation. This means interfacial forces are stronger, which masks the weak attractive forces.

Inverted polymer fullerene solar cells exceeding 10% efficiency with poly(2-ethyl-2-oxazoline) nanodots on electron-collecting buffer layers

PubMed Central

Nam, Sungho; Seo, Jooyeok; Woo, Sungho; Kim, Wook Hyun; Kim, Hwajeong; Bradley, Donal D. C.; Kim, Youngkyoo

2015-01-01

Polymer solar cells have been spotlighted due to their potential for low-cost manufacturing but their efficiency is still less than required for commercial application as lightweight/flexible modules. Forming a dipole layer at the electron-collecting interface has been suggested as one of the more attractive approaches for efficiency enhancement. However, only a few dipole layer material types have been reported so far, including only one non-ionic (charge neutral) polymer. Here we show that a further neutral polymer, namely poly(2-ethyl-2-oxazoline) (PEOz) can be successfully used as a dipole layer. Inclusion of a PEOz layer, in particular with a nanodot morphology, increases the effective work function at the electron-collecting interface within inverted solar cells and thermal annealing of PEOz layer leads to a state-of-the-art 10.74% efficiency for single-stack bulk heterojunction blend structures comprising poly[4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene-alt-3-fluorothieno[3,4-b]thiophene-2-carboxylate] as donor and [6,6]-phenyl-C71-butyric acid methyl ester as acceptor. PMID:26656447

Deconstructing Temperature Gradients across Fluid Interfaces: The Structural Origin of the Thermal Resistance of Liquid-Vapor Interfaces

NASA Astrophysics Data System (ADS)

Muscatello, Jordan; Chacón, Enrique; Tarazona, Pedro; Bresme, Fernando

2017-07-01

The interfacial thermal resistance determines condensation-evaporation processes and thermal transport across material-fluid interfaces. Despite its importance in transport processes, the interfacial structure responsible for the thermal resistance is still unknown. By combining nonequilibrium molecular dynamics simulations and interfacial analyses that remove the interfacial thermal fluctuations we show that the thermal resistance of liquid-vapor interfaces is connected to a low density fluid layer that is adsorbed at the liquid surface. This thermal resistance layer (TRL) defines the boundary where the thermal transport mechanism changes from that of gases (ballistic) to that characteristic of dense liquids, dominated by frequent particle collisions involving very short mean free paths. We show that the thermal conductance is proportional to the number of atoms adsorbed in the TRL, and hence we explain the structural origin of the thermal resistance in liquid-vapor interfaces.

Molecular dynamics investigation on adsorption layer of alcohols at the air/brine interface.

PubMed

Nguyen, Cuong V; Phan, Chi M; Ang, Ha M; Nakahara, Hiromichi; Shibata, Osamu; Moroi, Yoshikiyo

2015-01-01

Alcohols are a significant group of surfactants which have been employed extensively in industry to improve the interfacial effects. Recently, the change in surface potential (ΔV) of two isomeric hexanols, methyl isobutyl carbinol (MIBC) and 1-hexanol, was investigated by using an ionizing (241)Am electrode. It clearly showed the opposite effects between MIBC and 1-hexanol in the interfacial zone: one enhanced the presence of cations, whereas the other enhanced the presence of anions. This study employs molecular dynamics simulation to provide new insights into the interactions between alcohol molecules and ions as well as water at the molecular level. The results qualitatively agreed with the experimental data and verified the significance of MIBC branching structure on the molecular arrangement within the interfacial zone. The results also highlighted the role of the second water layer on the interfacial properties.

Effect of self-assembled InAs islands on the interfacial roughness of optical-switched resonant tunneling diode

PubMed Central

2012-01-01

Embedding a quantum dot [QD] layer between the double barriers of resonant tunneling diode [RTD] is proved to be an effective method to increase the sensitivity of QD-RTD single-photon detector. However, the interfacial flatness of this device would be worsened due to the introduction of quantum dots. In this paper, we demonstrate that the interfacial quality of this device can be optimized through increasing the growth temperature of AlAs up barrier. The glancing incidence X-ray reflectivity and the high-resolution transmission electron microscopy measurements show that the interfacial smoothness has been greatly improved, and the photo-luminescence test indicated that the InAs QDs were maintained at the same time. The smoother interface was attributed to the evaporation of segregated indium atoms at InGaAs surface layer. PACS 73.40.GK, 73.23._b, 73.21.La, 74.62.Dh PMID:22333518

Effect of self-assembled InAs islands on the interfacial roughness of optical-switched resonant tunneling diode.

PubMed

Tian, Haitao; Wang, Lu; Shi, Zhenwu; Gao, Huaiju; Zhang, Shuhui; Wang, Wenxin; Chen, Hong

2012-02-14

Embedding a quantum dot [QD] layer between the double barriers of resonant tunneling diode [RTD] is proved to be an effective method to increase the sensitivity of QD-RTD single-photon detector. However, the interfacial flatness of this device would be worsened due to the introduction of quantum dots. In this paper, we demonstrate that the interfacial quality of this device can be optimized through increasing the growth temperature of AlAs up barrier. The glancing incidence X-ray reflectivity and the high-resolution transmission electron microscopy measurements show that the interfacial smoothness has been greatly improved, and the photo-luminescence test indicated that the InAs QDs were maintained at the same time. The smoother interface was attributed to the evaporation of segregated indium atoms at InGaAs surface layer. PACS: 73.40.GK, 73.23._b, 73.21.La, 74.62.Dh.

Interpretation of transport measurements in ZnO-thin films

NASA Astrophysics Data System (ADS)

Petukhov, Vladimir; Stoemenos, John; Rothman, Johan; Bakin, Andrey; Waag, Andreas

2011-01-01

In order to interpret results of temperature dependent Hall measurements in heteroepitaxial ZnO-thin films, we adopted a multilayer conductivity model considering carrier-transport through the interfacial layer with degenerate electron gas as well as the upper part of ZnO layers with lower conductivity. This model was applied to the temperature dependence of the carrier concentration and mobility measured by Hall effect in a ZnO-layer grown on c-sapphire with conventional high-temperature MgO and low-temperature ZnO buffer. We also compared our results with the results of maximum entropy mobility-spectrum analysis (MEMSA). The formation of the highly conductive interfacial layer was explained by analysis of transmission electron microscopy (TEM) images taken from similar layers.

Nonlocal thermal transport across embedded few-layer graphene sheets

DOE PAGES

Liu, Ying; Huxtable, Scott T.; Yang, Bao; ...

2014-11-13

Thermal transport across the interfaces between few-layer graphene sheets and soft materials exhibits intriguing anomalies when interpreted using the classical Kapitza model, e.g., the conductance of the same interface differs greatly for different modes of interfacial thermal transport. Using atomistic simulations, we show that such thermal transport follows a nonlocal flux-temperature drop constitutive law and is characterized jointly by a quasi-local conductance and a nonlocal conductance instead of the classical Kapitza conductance. Lastly, the nonlocal model enables rationalization of many anomalies of the thermal transport across embedded few-layer graphene sheets and should be used in studies of interfacial thermal transportmore » involving few-layer graphene sheets or other ultra-thin layered materials.« less

Effect of high-pressure H{sub 2}O treatment on elimination of interfacial GeO{sub X} layer between ZrO{sub 2} and Ge stack

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

Huang, Chen-Shuo; Liu, Po-Tsun

2011-08-22

This investigation demonstrates the effect of high-pressure H{sub 2}O treatment on the elimination of the interfacial germanium suboxide (GeO{sub X}) layer between ZrO{sub 2} and Ge. The formation of GeO{sub X} interlayer increases the gate-leakage current and worsen the controllability of the gate during deposition or thermal cycles. X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy reveal that high-pressure H{sub 2}O treatment eliminates the interfacial GeO{sub X} layer. The physical mechanism involves the oxidation of non-oxidized Zr with H{sub 2}O and the reduction of GeO{sub X} by H{sub 2}. Treatment with H{sub 2}O reduces the gate-leakage current of a ZrO{submore » 2}/Ge capacitor by a factor of 1000.« less

Improved interfacial and electrical properties of atomic layer deposition HfO2 films on Ge with La2O3 passivation

NASA Astrophysics Data System (ADS)

Li, Xue-Fei; Liu, Xiao-Jie; Cao, Yan-Qiang; Li, Ai-Dong; Li, Hui; Wu, Di

2013-01-01

We report the characteristics of HfO2 films deposited on Ge substrates with and without La2O3 passivation at 250 °C by atomic layer deposition (ALD) using La[N(SiMe3)2]3 and Hf[N(CH3)(C2H5)]4 as the precursors. The HfO2 is observed to form defective HfGeOx at its interface during 500 °C postdeposition annealing. The insertion of an ultrathin La2O3 interfacial passivation layer effectively prevents the Ge outdiffusion and improves interfacial and electrical properties. Capacitance equivalent thickness (CET) of 1.35 nm with leakage current density JA of 8.3 × 10-4 A/cm2 at Vg = 1 V is achieved for the HfO2/La2O3 gate stacks on Ge substrates.

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

Wang, Ziying; Lee, Jungwoo Z.; Xin, Huolin L.

All-solid-state lithium-ion batteries have the potential to not only push the current limits of energy density by utilizing Li metal, but also improve safety by avoiding flammable organic electrolyte. However, understanding the role of solid electrolyte – electrode interfaces will be critical to improve performance. In this paper, we conducted long term cycling on commercially available lithium cobalt oxide (LCO)/lithium phosphorus oxynitride (LiPON)/lithium (Li) cells at elevated temperature to investigate the interfacial phenomena that lead to capacity decay. STEM-EELS analysis of samples revealed a previously unreported disordered layer between the LCO cathode and LiPON electrolyte. This electrochemically inactive layer grewmore » in thickness leading to loss of capacity and increase of interfacial resistance when cycled at 80 °C. Finally, the stabilization of this layer through interfacial engineering is crucial to improve the long term performance of thin-film batteries especially under thermal stress.« less

Interfacially polymerized layers for oxygen enrichment: a method to overcome Robeson's upper-bound limit.

PubMed

Tsai, Ching-Wei; Tsai, Chieh; Ruaan, Ruoh-Chyu; Hu, Chien-Chieh; Lee, Kueir-Rarn

2013-06-26

Interfacial polymerization of four aqueous phase monomers, diethylenetriamine (DETA), m-phenylenediamine (mPD), melamine (Mela), and piperazine (PIP), and two organic phase monomers, trimethyl chloride (TMC) and cyanuric chloride (CC), produce a thin-film composite membrane of polymerized polyamide layer capable of O2/N2 separation. To achieve maximum efficiency in gas permeance and O2/N2 permselectivity, the concentrations of monomers, time of interfacial polymerization, number of reactive groups in monomers, and the structure of monomers need to be optimized. By controlling the aqueous/organic monomer ratio between 1.9 and 2.7, we were able to obtain a uniformly interfacial polymerized layer. To achieve a highly cross-linked layer, three reactive groups in both the aqueous and organic phase monomers are required; however, if the monomers were arranged in a planar structure, the likelihood of structural defects also increased. On the contrary, linear polymers are less likely to result in structural defects, and can also produce polymer layers with moderate O2/N2 selectivity. To minimize structural defects while maximizing O2/N2 selectivity, the planar monomer, TMC, containing 3 reactive groups, was reacted with the semirigid monomer, PIP, containing 2 reactive groups to produce a membrane with an adequate gas permeance of 7.72 × 10(-6) cm(3) (STP) s(-1) cm(-2) cm Hg(-1) and a high O2/N2 selectivity of 10.43, allowing us to exceed the upper-bound limit of conventional thin-film composite membranes.

Influence of dielectric substrate on the responsivity of microstrip dipole-antenna-coupled infrared microbolometers.

PubMed

Codreanu, Iulian; Boreman, Glenn D

2002-04-01

We report on the influence of the dielectric substrate on the performance of microstrip dipole-antenna-coupled microbolometers. The location, the width, and the magnitude of the resonance of a printed dipole are altered when the dielectric substrate is backed by a ground plane. A thicker dielectric substrate shifts the antenna resonance toward shorter dipole lengths and leads to a stronger and slower detector response. The incorporation of an air layer into the antenna substrate further increases thermal impedance, leading to an even stronger response and shifting the antenna resonance toward longer dipole lengths.

Improving the durability of the optical fiber sensor based on strain transfer analysis

NASA Astrophysics Data System (ADS)

Wang, Huaping; Jiang, Lizhong; Xiang, Ping

2018-05-01

To realize the reliable and long-term strain detection, the durability of optical fiber sensors has attracted more and more attention. The packaging technique has been considered as an effective method, which can enhance the survival ratios of optical fiber sensors to resist the harsh construction and service environment in civil engineering. To monitor the internal strain of structures, the embedded installation is adopted. Due to the different material properties between host material and the protective layer, the monitored structure embedded with sensors can be regarded as a typical model containing inclusions. Interfacial characteristic between the sensor and host material exists obviously, and the contacted interface is prone to debonding failure induced by the large interfacial shear stress. To recognize the local interfacial debonding damage and extend the effective life cycle of the embedded sensor, strain transfer analysis of a general three-layered sensing model is conducted to investigate the failure mechanism. The perturbation of the embedded sensor on the local strain field of host material is discussed. Based on the theoretical analysis, the distribution of the interfacial shear stress along the sensing length is characterized and adopted for the diagnosis of local interfacial debonding, and the sensitive parameters influencing the interfacial shear stress are also investigated. The research in this paper explores the interfacial debonding failure mechanism of embedded sensors based on the strain transfer analysis and provides theoretical basis for enhancing the interfacial bonding properties and improving the durability of embedded optical fiber sensors.

Modeling the purging of dense fluid from a street canyon driven by an interfacial mixing flow and skimming flow

NASA Astrophysics Data System (ADS)

Baratian-Ghorghi, Z.; Kaye, N. B.

2013-07-01

An experimental study is presented to investigate the mechanism of flushing a trapped dense contaminant from a canyon by turbulent boundary layer flow. The results of a series of steady-state experiments are used to parameterize the flushing mechanisms. The steady-state experimental results for a canyon with aspect ratio one indicate that dense fluid is removed from the canyon by two different processes, skimming of dense fluid from the top of the dense layer; and by an interfacial mixing flow that mixes fresh fluid down into the dense lower layer (entrainment) while mixing dense fluid into the flow above the canyon (detrainment). A model is developed for the time varying buoyancy profile within the canyon as a function of the Richardson number which parameterizes both the interfacial mixing and skimming processes observed. The continuous release steady-state experiments allowed for the direct measurement of the skimming and interfacial mixing flow rates for any layer depth and Richardson number. Both the skimming rate and the interfacial mixing rate were found to be power-law functions of the Richardson number of the layer. The model results were compared to the results of previously published finite release experiments [Z. Baratian-Ghorghi and N. B. Kaye, Atmos. Environ. 60, 392-402 (2012)], 10.1016/j.atmosenv.2012.06.077. A high degree of consistency was found between the finite release data and the continuous release data. This agreement acts as an excellent check on the measurement techniques used, as the finite release data was based on curve fitting through buoyancy versus time data, while the continuous release data was calculated directly by measuring the rate of addition of volume and buoyancy once a steady-state was established. Finally, a system of ordinary differential equations is presented to model the removal of dense fluid from the canyon based on empirical correlations of the skimming and interfacial mixing taken form the steady-state experiments. The ODE model predicts well the time taken for a finite volume of dense fluid to be flushed from a canyon.

Interplay of Interfacial Layers and Blend Composition To Reduce Thermal Degradation of Polymer Solar Cells at High Temperature.

PubMed

Ben Dkhil, Sadok; Pfannmöller, Martin; Schröder, Rasmus R; Alkarsifi, Riva; Gaceur, Meriem; Köntges, Wolfgang; Heidari, Hamed; Bals, Sara; Margeat, Olivier; Ackermann, Jörg; Videlot-Ackermann, Christine

2018-01-31

The thermal stability of printed polymer solar cells at elevated temperatures needs to be improved to achieve high-throughput fabrication including annealing steps as well as long-term stability. During device processing, thermal annealing impacts both the organic photoactive layer, and the two interfacial layers make detailed studies of degradation mechanism delicate. A recently identified thermally stable poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl][3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl

Simulations of molecular self-assembled monolayers on surfaces: packing structures, formation processes and functions tuned by intermolecular and interfacial interactions.

PubMed

Wen, Jin; Li, Wei; Chen, Shuang; Ma, Jing

2016-08-17

Surfaces modified with a functional molecular monolayer are essential for the fabrication of nano-scale electronics or machines with novel physical, chemical, and/or biological properties. Theoretical simulation based on advanced quantum chemical and classical models is at present a necessary tool in the development, design, and understanding of the interfacial nanostructure. The nanoscale surface morphology, growth processes, and functions are controlled by not only the electronic structures (molecular energy levels, dipole moments, polarizabilities, and optical properties) of building units but also the subtle balance between intermolecular and interfacial interactions. The switchable surfaces are also constructed by introducing stimuli-responsive units like azobenzene derivatives. To bridge the gap between experiments and theoretical models, opportunities and challenges for future development of modelling of ferroelectricity, entropy, and chemical reactions of surface-supported monolayers are also addressed. Theoretical simulations will allow us to obtain important and detailed information about the structure and dynamics of monolayer modified interfaces, which will guide the rational design and optimization of dynamic interfaces to meet challenges of controlling optical, electrical, and biological functions.

Acoustic dipole radiation model for magnetoacoustic tomography with magnetic induction

NASA Astrophysics Data System (ADS)

Li, Yi-Ling; Ma, Qing-Yu; Zhang, Dong; Xia, Rong-Min

2011-08-01

An acoustic dipole radiation model for magnetoacoustic tomography with magnetic induction (MAT-MI) is proposed, based on the analyses of one-dimensional tissue vibration, three-dimensional acoustic dipole radiation and acoustic waveform detection with a planar piston transducer. The collected waveforms provide information about the conductivity boundaries in various vibration intensities and phases due to the acoustic dipole radiation pattern. Combined with the simplified back projection algorithm, the conductivity configuration of the measured layer in terms of shape and size can be reconstructed with obvious border stripes. The numerical simulation is performed for a two-layer cylindrical phantom model and it is also verified by the experimental results of MAT-MI for a tissue-like sample phantom. The proposed model suggests a potential application of conductivity differentiation and provides a universal basis for the further study of conductivity reconstruction for MAT-MI.

Magnetic field modification of optical magnetic dipoles.

PubMed

Armelles, Gaspar; Caballero, Blanca; Cebollada, Alfonso; Garcia-Martin, Antonio; Meneses-Rodríguez, David

2015-03-11

Acting on optical magnetic dipoles opens novel routes to govern light-matter interaction. We demonstrate magnetic field modification of the magnetic dipolar moment characteristic of resonant nanoholes in thin magnetoplasmonic films. This is experimentally shown through the demonstration of the magneto-optical analogue of Babinet's principle, where mirror imaged MO spectral dependencies are obtained for two complementary magnetoplasmonic systems: holes in a perforated metallic layer and a layer of disks on a substrate.

Plasmonic reflectance anisotropy spectroscopy of metal nanoparticles on a semiconductor surface

NASA Astrophysics Data System (ADS)

Kosobukin, V. A.; Korotchenkov, A. V.

2016-12-01

A theory of plasmonic differential anisotropic reflection of light from nanoparticles located near the interface between media is developed. The model of a monolayer consisting of identical ellipsoidal metal particles occupying sites of a rectangular lattice is investigated. Effective plasmonic polarizabilities of nanoparticles in the layer are calculated self-consistently using the Green's function technique in the quasipoint dipole approximation. The local-field effect caused by anisotropic dipole plasmons of particles in the layer and their image dipoles is taken into account. The lately observed resonant reflectance anisotropy spectra of indium nanoclusters on InAs surface are explained by the difference between frequencies of plasmons with the orthogonal polarizations in the surface plane. The difference between the plasmon frequencies is attributed to anisotropy of the particles shape or/and the layer structure; the signs of frequency difference for the two types of anisotropy being different.

Two-Layer 16 Tesla Cosθ Dipole Design for the FCC

DOE PAGES

Holik, Eddie Frank; Ambrosio, Giorgio; Apollinari, G.

2018-02-13

The Future Circular Collider or FCC is a study aimed at exploring the possibility to reach 100 TeV total collision energy which would require 16 tesla dipoles. Upon the conclusion of the High Luminosity Upgrade, the US LHC Accelerator Upgrade Pro-ject in collaboration with CERN will have extensive Nb3Sn magnet fabrication experience. This experience includes robust Nb3Sn conductor and insulation scheming, 2-layer cos2θ coil fabrication, and bladder-and-key structure and assembly. By making im-provements and modification to existing technology the feasibility of a two-layer 16 tesla dipole is investigated. Preliminary designs indicate that fields up to 16.6 tesla are feasible withmore » conductor grading while satisfying the HE-LHC and FCC specifications. Key challenges include accommodating high-aspect ratio conductor, narrow wedge design, Nb3Sn conductor grading, and especially quench protection of a 16 tesla device.« less

Two-Layer 16 T Cos θ Dipole Design for the FCC

DOE PAGES

Holik, Eddie Frank; Ambrosio, Giorgio; Apollinari, Giorgio

2018-02-22

Here, the Future Circular Collider or FCC is a study aimed at exploring the possibility to reach 100 TeV total collision energy which would require 16 tesla dipoles. Upon the conclusion of the High Luminosity Upgrade, the US LHC Accelerator Upgrade Pro-ject in collaboration with CERN will have extensive Nb 3Sn magnet fabrication experience. This experience includes robust Nb 3Sn conductor and insulation scheming, 2-layer cos2θ coil fabrication, and bladder-and-key structure and assembly. By making im-provements and modification to existing technology the feasibility of a two-layer 16 tesla dipole is investigated. Preliminary designs indicate that fields up to 16.6 teslamore » are feasible with conductor grading while satisfying the HE-LHC and FCC specifications. Key challenges include accommodating high-aspect ratio conductor, narrow wedge design, Nb 3Sn conductor grading, and especially quench protection of a 16 tesla device.« less

Two-Layer 16 T Cos θ Dipole Design for the FCC

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

Holik, Eddie Frank; Ambrosio, Giorgio; Apollinari, Giorgio

Here, the Future Circular Collider or FCC is a study aimed at exploring the possibility to reach 100 TeV total collision energy which would require 16 tesla dipoles. Upon the conclusion of the High Luminosity Upgrade, the US LHC Accelerator Upgrade Pro-ject in collaboration with CERN will have extensive Nb 3Sn magnet fabrication experience. This experience includes robust Nb 3Sn conductor and insulation scheming, 2-layer cos2θ coil fabrication, and bladder-and-key structure and assembly. By making im-provements and modification to existing technology the feasibility of a two-layer 16 tesla dipole is investigated. Preliminary designs indicate that fields up to 16.6 teslamore » are feasible with conductor grading while satisfying the HE-LHC and FCC specifications. Key challenges include accommodating high-aspect ratio conductor, narrow wedge design, Nb 3Sn conductor grading, and especially quench protection of a 16 tesla device.« less

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface.

PubMed

Bauer, Brad A; Warren, G Lee; Patel, Sandeep

2009-02-10

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.(1) that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å(3) and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm(3) at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed.

Incorporating Phase-Dependent Polarizability in Non-Additive Electrostatic Models for Molecular Dynamics Simulations of the Aqueous Liquid-Vapor Interface

PubMed Central

Bauer, Brad A.; Warren, G. Lee; Patel, Sandeep

2012-01-01

We discuss a new classical water force field that explicitly accounts for differences in polarizability between liquid and vapor phases. The TIP4P-QDP (4-point transferable intermolecular potential with charge dependent-polarizability) force field is a modification of the original TIP4P-FQ fluctuating charge water force field of Rick et al.1 that self-consistently adjusts its atomic hardness parameters via a scaling function dependent on the M-site charge. The electronegativity (χ) parameters are also scaled in order to reproduce condensed-phase dipole moments of comparable magnitude to TIP4P-FQ. TIP4P-QDP is parameterized to reproduce experimental gas-phase and select condensed-phase properties. The TIP4P-QDP water model possesses a gas phase polarizability of 1.40 Å3 and gas-phase dipole moment of 1.85 Debye, in excellent agreement with experiment and high-level ab initio predictions. The liquid density of TIP4P-QDP is 0.9954(±0.0002) g/cm3 at 298 K and 1 atmosphere, and the enthalpy of vaporization is 10.55(±0.12) kcal/mol. Other condensed-phase properties such as the isobaric heat capacity, isothermal compressibility, and diffusion constant are also calculated within reasonable accuracy of experiment and consistent with predictions of other current state-of-the-art water force fields. The average molecular dipole moment of TIP4P-QDP in the condensed phase is 2.641(±0.001) Debye, approximately 0.02 Debye higher than TIP4P-FQ and within the range of values currently surmised for the bulk liquid. The dielectric constant, ε = 85.8 ± 1.0, is 10% higher than experiment. This is reasoned to be due to the increase in the condensed phase dipole moment over TIP4P-FQ, which estimates ε remarkably well. Radial distribution functions for TIP4P-QDP and TIP4P-FQ show similar features, with TIP4P-QDP showing slightly reduced peak heights and subtle shifts towards larger distance interactions. Since the greatest effects of the phase-dependent polarizability are anticipated in regions with both liquid and vapor character, interfacial simulations of TIP4P-QDP were performed and compared to TIP4P-FQ, a static polarizability analog. Despite similar features in density profiles such as the position of the GDS and interfacial width, enhanced dipole moments are observed for the TIP4P-QDP interface and onset of the vapor phase. Water orientational profiles show an increased preference (over TIP4P-FQ) in the orientation of the permanent dipole vector of the molecule within the interface; an enhanced z-induced dipole moment directly results from this preference. Hydrogen bond formation is lower, on average, in the bulk for TIP4P-QDP than TIP4P-FQ. However, the average number of hydrogen bonds formed by TIP4P-QDP in the interface exceeds that of TIP4P-FQ, and observed hydrogen bond networks extend further into the gaseous region. The TIP4P-QDP interfacial potential, calculated to be -11.98(±0.08) kcal/mol, is less favorable than that for TIP4P-FQ by approximately 2% as a result of a diminished quadrupole contribution. Surface tension is calculated within a 1.3% reduction from the experimental value. Results reported demonstrate TIP4P-QDP as a model comparable to the popular TIP4P-FQ while accounting for a physical effect previously neglected by other water models. Further refinements to this model, as well as future applications are discussed. PMID:23133341

Strontium ruthenate-anatase titanium dioxide heterojunctions from first-principles: Electronic structure, spin, and interface dipoles

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2016-07-01

The epitaxial integration of functional oxides with wide band gap semiconductors offers the possibility of new material systems for electronics and energy conversion applications. We use first principles to consider an epitaxial interface between the correlated metal oxide SrRuO3 and the wide band gap semiconductor TiO2, and assess energy level alignment, interfacial chemistry, and interfacial dipole formation. Due to the ferromagnetic, half-metallic character of SrRuO3, according to which only one spin is present at the Fermi level, we demonstrate the existence of a spin dependent band alignment across the interface. For two different terminations of SrRuO3, the interface is found to be rectifying with a Schottky barrier of ≈1.3-1.6 eV, in good agreement with experiment. In the minority spin, SrRuO3 exhibits a Schottky barrier alignment with TiO2 and our calculated Schottky barrier height is in excellent agreement with previous experimental measurements. For majority spin carriers, we find that SrRuO3 recovers its exchange splitting gap and bulk-like properties within a few monolayers of the interface. These results demonstrate a possible approach to achieve spin-dependent transport across a heteroepitaxial interface between a functional oxide material and a conventional wide band gap semiconductor.

SIMS depth profiling of rubber-tyre cord bonding layers prepared using 64Zn depleted ZnO

NASA Astrophysics Data System (ADS)

Fulton, W. S.; Sykes, D. E.; Smith, G. C.

2006-07-01

Zinc oxide and copper/zinc sulphide layers are formed during vulcanisation and moulding of rubber to brass-coated steel tyre reinforcing cords. Previous studies have described how zinc diffuses through the rubber-brass interface to form zinc sulphide, and combines with oxygen to create zinc oxide during dezincification. The zinc is usually assumed to originate in the brass of the tyre cord, however, zinc oxide is also present in the rubber formulation. We reveal how zinc from these sources is distributed within the interfacial bonding layers, before and after heat and humidity ageing. Zinc oxide produced using 64Zn-isotope depleted zinc was mixed in the rubber formulation in place of the natural ZnO and the zinc isotope ratios within the interfacial layers were followed by secondary ion mass spectroscopy (SIMS) depth profiling. Variations in the relative ratios of the zinc isotopes during depth profiling were measured for unaged, heat-aged and humidity-aged wire samples and in each case a relatively large proportion of the zinc incorporated into the interfacial layer as zinc sulphide was shown to have originated from ZnO in the rubber compound.

Interfacial chemistry of a perfluoropolyether lubricant studied by XPS and TDS

NASA Technical Reports Server (NTRS)

Herrera-Fierro, Pilar C.; Jones, William R., Jr.; Pepper, Stephen V.

1992-01-01

The interfacial chemistry of Fomblin Z25, a commercial perfluoropolyether used as lubricant for space applications, with different metallic surfaces: 440C steel, gold and aluminum was studied. Thin layers of Fomblin Z25 were evaporated onto the oxide-free substrates and the interfacial chemistry studied using XPS and TDS. The reactions were induced by heating the substrate and by rubbing the substrate with a steel ball. Gold was found to be completely unreactive towards Fomblin at any temperature. Reaction at room temperature was observed only in the case of the aluminum substrate, the most reactive towards Fomblin Z25 of the substrates studied. It was necessary to heat the 440C steel substrate to 190 degree C to induce decomposition of the fluid. The degradation of the fluid was indicated by the formation of a debris layer at the interface. This debris layer, composed of inorganic and organic reaction products, when completely formed, passivated the surface from further attack to the Fromblin on top. The tribologically induced reactions on 440C steel formed a debris layer of similar chemical characteristics to the thermally induced layer. In all cases, the degradation reaction resulted in preferential consumption of the difluoroformyl carbon (-OCF2O-).

Evaluation of interlayer interfacial stiffness and layer wave velocity of multilayered structures by ultrasonic spectroscopy.

PubMed

Ishii, Yosuke; Biwa, Shiro

2014-07-01

An ultrasonic evaluation procedure for the interlayer interfacial normal stiffness and the intralayer longitudinal wave velocity of multilayered plate-like structures is proposed. Based on the characteristics of the amplitude reflection spectrum of ultrasonic wave at normal incidence to a layered structure with spring-type interlayer interfaces, it is shown that the interfacial normal stiffness and the longitudinal wave velocity in the layers can be simultaneously evaluated from the frequencies of local maxima and minima of the spectrum provided that all interfaces and layers have the same properties. The effectiveness of the proposed procedure is investigated from the perspective of the sensitivity of local extremal frequencies of the reflection spectrum. The feasibility of the proposed procedure is also investigated when the stiffness of each interface is subjected to small random fluctuations about a certain average value. The proposed procedure is applied to a 16-layered cross-ply carbon-fiber-reinforced composite laminate. The normal stiffness of resin-rich interfaces and the longitudinal wave velocity of plies in the thickness direction evaluated from the experimental reflection spectrum are shown to be consistent with simple theoretical estimations.

Effect of in situ annealing on the structural and electrical properties and infrared photodetection of III-Sb on GaAs using interfacial misfit array

NASA Astrophysics Data System (ADS)

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt

2018-01-01

This work presents the effects of in situ thermal annealing under antimony overpressure on the structural, electrical, and optical properties of III-Sb (GaSb and InSb) grown on (100) GaAs using an interfacial misfit array to accommodate the lattice mismatch. Both the sample growth and the in situ thermal annealing were carried out in the in the molecular beam epitaxy system, and the temperature of the as-grown sample was increased to exceed its growth temperature during the annealing. X-ray diffraction demonstrates nearly fully relaxed as-grown and annealed III-Sb layers. The optimal annealing temperatures and durations are for 590 °C, 5 min for GaSb and 420 °C, 15 min for InSb, respectively. In situ annealing decreased the surface roughness of the III-Sb layers. X-ray reciprocal space mapping and transmission electron microscopy observation showed stable interfacial misfit arrays, and no interfacial diffusion occurred in the annealed III-Sb layers. A Hall measurement of unintentionally doped III-Sb layers showed greater carrier mobility and a lower carrier concentration in the annealed samples at both 77 and 300 K. In situ annealing improved the photoresponsivity of GaSb and InSb photoconductors grown on GaAs in the near- and mid-infrared ranges, respectively.

Forward modeling to investigate inversion artifacts resulting from time-lapse electrical resistivity tomography during rainfall simulations

NASA Astrophysics Data System (ADS)

Carey, Austin M.; Paige, Ginger B.; Carr, Bradley J.; Dogan, Mine

2017-10-01

Time-lapse electrical resistivity tomography (ERT) is commonly used as a minimally invasive tool to study infiltration processes. In 2014, we conducted field studies coupling variable intensity rainfall simulation with high-resolution ERT to study the real-time partitioning of rainfall into surface and subsurface response. The significant contrast in resistivity in the subsurface from large changes in subsurface moisture resulted in artifacts during the inversion process of the time-lapse ERT data collected using a dipole-dipole electrode array. These artifacts, which are not representative of real subsurface moisture dynamics, have been shown to arise during time-lapse inversion of ERT data and may be subject to misinterpretation. Forward modeling of the infiltration process post field experiments using a two-layer system (saprolite overlain by a soil layer) was used to generate synthetic datasets. The synthetic data were used to investigate the influence of both changes in volumetric moisture content and electrode configuration on the development of the artifacts identified in the field datasets. For the dipole-dipole array, we found that a decrease in the resistivity of the bottom layer by 67% resulted in a 50% reduction in artifact development. Artifacts for the seven additional array configurations tested, ranged from a 19% increase in artifact development (using an extended dipole-dipole array) to as much as a 96% decrease in artifact development (using a wenner-alpha array), compared to that of the dipole-dipole array. Moreover, these arrays varied in their ability to accurately delineate the infiltration front. Model results showed that the modified pole-dipole array was able to accurately image the infiltration zone and presented fewer artifacts for our experiments. In this study, we identify an optimal array type for imaging rainfall-infiltration dynamics that reduces artifacts. The influence of moisture contrast between the infiltrating water and the bulk subsurface material was characterized and shown to be a major factor in contributing to artifact development. Through forward modeling, this study highlights the importance of considering array type and subsurface moisture conditions when using time-lapse resistivity to obtain reliable estimates of vadose zone flow processes during rainfall-infiltration events.

Efficient small molecular organic light emitting diode with graphene cathode covered by a Sm layer with nano-hollows and n-doped by Bphen:Cs2CO3 in the hollows

NASA Astrophysics Data System (ADS)

Yao, Li; Li, Lei; Qin, Laixiang; Ma, Yaoguang; Wang, Wei; Meng, Hu; Jin, Weifeng; Wang, Yilun; Xu, Wanjin; Ran, Guangzhao; You, Liping; Qin, Guogang

2017-03-01

Graphene is a favorable candidate for electrodes of organic light emitting diodes (OLEDs). Graphene has quite a high work function of ˜4.5 eV, and has been extensively studied when used as anodes of OLEDs. In order to use graphene as a cathode, the electron injection barrier between the graphene cathode and the electron transport layer has to be low enough. Using 4,7-diphenyl-1,10-phenanthroline (Bphen):Cs2CO3 to n-dope graphene is a very good method, but the electron injection barrier between the n-doped graphene and Bphen:Cs2CO3 is still too high to be ˜1.0 eV. In this work, in order to further reduce the electron injection barrier, a novel method is suggested. On the graphene cathode, a Sm layer with a lot of nano-hollows, and subsequently a layer of Bphen:Cs2CO3, are deposited. The Bphen:Cs2CO3 can n-dope graphene in the nano-hollows, and the Fermi level of the graphene rises. The nano Sm layer is very easily oxidized. Oxygen adsorbed on the surface of graphene may react with Sm to form an O--Sm+ dipole layer. On the areas of the Sm oxide dipole layer without nano-hollows, the electron injection barrier can be further lowered by the dipole layer. Electrons tend to mainly inject through the lower electron barrier where the dipole layer exists. Based on this idea, an effective inverted small molecular OLED with the structure of graphene/1 nm Sm layer with a lot of nano-hollows/Bphen:Cs2CO3/Alq3:C545T/NPB/MoO3/Al is presented. The maximum current efficiency and maximum power efficiency of the OLED with a 1 nm Sm layer are about two and three times of those of the reference OLED without any Sm layer, respectively.

Tuning emission color of electroluminescence from two organic interfacial exciplexes by modulating the thickness of middle gadolinium complex layer

NASA Astrophysics Data System (ADS)

Li, Mingtao; Li, Wenlian; Chen, Lili; Kong, Zhiguo; Chu, Bei; Li, Bin; Hu, Zhizhi; Zhang, Zhiqiang

2006-02-01

Electroluminescent colors of organic light-emitting diodes (OLEDs) can be tuned by modulating the thickness of gadolinium (Gd) complex layer sandwiched between an electron-transporting layer (ETL) and a hole-transporting layer (HTL). The emission colors, which originate from the two interfacial exciplexes simultaneously, can be tuned from green to orange by increasing the thickness of the Gd-complex layer. The atom force microscope images have proved that there are many gaps in the thinner Gd-complex layers. Therefore, besides the exciplex formation between Gd complex and HTL, the exciplex between ETL and HTL is also formed. The results demonstrate that a simple way of color tuning can be realized by inserting a thin layer of color tuning material between HTL with lower ionization potentials and ETL with higher electron affinities. Moreover, photovoltaic device and white OLED based on the two exciplexes are also discussed.

Strong and reversible modulation of carbon nanotube-silicon heterojunction solar cells by an interfacial oxide layer.

PubMed

Jia, Yi; Cao, Anyuan; Kang, Feiyu; Li, Peixu; Gui, Xuchun; Zhang, Luhui; Shi, Enzheng; Wei, Jinquan; Wang, Kunlin; Zhu, Hongwei; Wu, Dehai

2012-06-21

Deposition of nanostructures such as carbon nanotubes on Si wafers to make heterojunction structures is a promising route toward high efficiency solar cells with reduced cost. Here, we show a significant enhancement in the cell characteristics and power conversion efficiency by growing a silicon oxide layer at the interface between the nanotube film and Si substrate. The cell efficiency increases steadily from 0.5% without interfacial oxide to 8.8% with an optimal oxide thickness of about 1 nm. This systematic study reveals that formation of an oxide layer switches charge transport from thermionic emission to a mixture of thermionic emission and tunneling and improves overall diode properties, which are critical factors for tailoring the cell behavior. By controlled formation and removal of interfacial oxide, we demonstrate oscillation of the cell parameters between two extreme states, where the cell efficiency can be reversibly altered by a factor of 500. Our results suggest that the oxide layer plays an important role in Si-based photovoltaics, and it might be utilized to tune the cell performance in various nanostructure-Si heterojunction structures.

Avalanche atomic switching in strain engineered Sb2Te3-GeTe interfacial phase-change memory cells

NASA Astrophysics Data System (ADS)

Zhou, Xilin; Behera, Jitendra K.; Lv, Shilong; Wu, Liangcai; Song, Zhitang; Simpson, Robert E.

2017-09-01

By confining phase transitions to the nanoscale interface between two different crystals, interfacial phase change memory heterostructures represent the state of the art for energy efficient data storage. We present the effect of strain engineering on the electrical switching performance of the {{Sb}}2{{Te}}3-GeTe superlattice van der Waals devices. Multiple Ge atoms switching through a two-dimensional Te layer reduces the activation barrier for further atoms to switch; an effect that can be enhanced by biaxial strain. The out-of-plane phonon mode of the GeTe crystal remains active in the superlattice heterostructures. The large in-plane biaxial strain imposed by the {{Sb}}2{{Te}}3 layers on the GeTe layers substantially improves the switching speed, reset energy, and cyclability of the superlattice memory devices. Moreover, carefully controlling residual stress in the layers of {{Sb}}2{{Te}}3-GeTe interfacial phase change memories provides a new degree of freedom to design the properties of functional superlattice structures for memory and photonics applications.

Interfacial Ferromagnetism and Exchange Bias in CaRuO3/CaMnO3 Superlattices

NASA Astrophysics Data System (ADS)

He, C.; Grutter, A. J.; Gu, M.; Browning, N. D.; Takamura, Y.; Kirby, B. J.; Borchers, J. A.; Kim, J. W.; Fitzsimmons, M. R.; Zhai, X.; Mehta, V. V.; Wong, F. J.; Suzuki, Y.

2012-11-01

We have found ferromagnetism in epitaxially grown superlattices of CaRuO3/CaMnO3 that arises in one unit cell at the interface. Scanning transmission electron microscopy and electron energy loss spectroscopy indicate that the difference in magnitude of the Mn valence states between the center of the CaMnO3 layer and the interface region is consistent with double exchange interaction among the Mn ions at the interface. Polarized neutron reflectivity and the CaMnO3 thickness dependence of the exchange bias field together indicate that the interfacial ferromagnetism is only limited to one unit cell of CaMnO3 at each interface. The interfacial moment alternates between the 1μB/interface Mn ion for even CaMnO3 layers and the 0.5μB/interface Mn ion for odd CaMnO3 layers. This modulation, combined with the exchange bias, suggests the presence of a modulating interlayer coupling between neighboring ferromagnetic interfaces via the antiferromagnetic CaMnO3 layers.

Tuning the Seebeck effect in C60-based hybrid thermoelectric devices through temperature-dependent surface polarization and thermally-modulated interface dipoles.

PubMed

Liu, Yuchun; Xu, Ling; Zhao, Chen; Shao, Ming; Hu, Bin

2017-06-07

Fullerene (C 60 ) is an important n-type organic semiconductor with high electron mobility and low thermal conductivity. In this work, we report the experimental results on the tunable Seebeck effect of C 60 hybrid thin-film devices by adopting different oxide layers. After inserting n-type high-dielectric constant titanium oxide (TiO x ) and zinc oxide (ZnO) layers, we observed a significantly enhanced n-type Seebeck effect in oxide/C 60 hybrid devices with Seebeck coefficients of -5.8 mV K -1 for TiO x /C 60 and -2.08 mV K -1 for ZnO/C 60 devices at 100 °C, compared with the value of -400 μV K -1 for the pristine C 60 device. However, when a p-type nickel oxide (NiO) layer is inserted, the C 60 hybrid devices show a p-type to n-type Seebeck effect transition when the temperature increases. The remarkable Seebeck effect and change in Seebeck coefficient in different oxide/C 60 hybrid devices can be attributed to two reasons: the temperature-dependent surface polarization difference and thermally-dependent interface dipoles. Firstly, the surface polarization difference due to temperature-dependent electron-phonon coupling can be enhanced by inserting an oxide layer and functions as an additional driving force for the Seebeck effect development. Secondly, thermally-dependent interface dipoles formed at the electrode/oxide interface play an important role in modifying the density of interface states and affecting the charge diffusion in hybrid devices. The surface polarization difference and interface dipoles function in the same direction in hybrid devices with TiO x and ZnO dielectric layers, leading to enhanced n-type Seebeck effect, while the surface polarization difference and interface dipoles generate the opposite impact on electron diffusion in ITO/NiO/C 60 /Al, leading to a p-type to n-type transition in the Seebeck effect. Therefore, inserting different oxide layers could effectively modulate the Seebeck effect of C 60 -based hybrid devices through the surface polarization difference and thermally-dependent interface dipoles, which represents an effective approach to tune the vertical Seebeck effect in organic functional devices.

Transforming from planar to three-dimensional lithium with flowable interphase for solid lithium metal batteries

PubMed Central

Liu, Yayuan; Lin, Dingchang; Jin, Yang; Liu, Kai; Tao, Xinyong; Zhang, Qiuhong; Zhang, Xiaokun; Cui, Yi

2017-01-01

Solid-state lithium (Li) metal batteries are prominent among next-generation energy storage technologies due to their significantly high energy density and reduced safety risks. Previously, solid electrolytes have been intensively studied and several materials with high ionic conductivity have been identified. However, there are still at least three obstacles before making the Li metal foil-based solid-state systems viable, namely, high interfacial resistance at the Li/electrolyte interface, low areal capacity, and poor power output. The problems are addressed by incorporating a flowable interfacial layer and three-dimensional Li into the system. The flowable interfacial layer can accommodate the interfacial fluctuation and guarantee excellent adhesion at all time, whereas the three-dimensional Li significantly reduces the interfacial fluctuation from the whole electrode level (tens of micrometers) to local scale (submicrometer) and also decreases the effective current density for high-capacity and high-power operations. As a consequence, both symmetric and full-cell configurations can achieve greatly improved electrochemical performances in comparison to the conventional Li foil, which are among the best reported values in the literature. Noticeably, solid-state full cells paired with high–mass loading LiFePO4 exhibited, at 80°C, a satisfactory specific capacity even at a rate of 5 C (110 mA·hour g−1) and a capacity retention of 93.6% after 300 cycles at a current density of 3 mA cm−2 using a composite solid electrolyte middle layer. In addition, when a ceramic electrolyte middle layer was adopted, stable cycling with greatly improved capacity could even be realized at room temperature. PMID:29062894

Transforming from planar to three-dimensional lithium with flowable interphase for solid lithium metal batteries

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

Liu, Yayuan; Lin, Dingchang; Jin, Yang

Solid-state lithium (Li) metal batteries are prominent among next-generation energy storage technologies due to their significantly high energy density and reduced safety risks. Previously, solid electrolytes have been intensively studied and several materials with high ionic conductivity have been identified. However, there are still at least three obstacles before making the Li metal foil-based solid-state systems viable, namely, high interfacial resistance at the Li/electrolyte interface, low areal capacity, and poor power output. The problems are addressed by incorporating a flowable interfacial layer and three-dimensional Li into the system. The flowable interfacial layer can accommodate the interfacial fluctuation and guarantee excellentmore » adhesion at all time, whereas the three-dimensional Li significantly reduces the interfacial fluctuation from the whole electrode level (tens of micrometers) to local scale (submicrometer) and also decreases the effective current density for high-capacity and high-power operations. As a consequence, both symmetric and full-cell configurations can achieve greatly improved electrochemical performances in comparison to the conventional Li foil, which are among the best reported values in the literature. Noticeably, solid-state full cells paired with high–mass loading LiFePO4 exhibited, at 80°C, a satisfactory specific capacity even at a rate of 5 C (110 mA·hour g -1) and a capacity retention of 93.6% after 300 cycles at a current density of 3 mA cm -2 using a composite solid electrolyte middle layer. In addition, when a ceramic electrolyte middle layer was adopted, stable cycling with greatly improved capacity could even be realized at room temperature.« less

Transforming from planar to three-dimensional lithium with flowable interphase for solid lithium metal batteries

DOE PAGES

Liu, Yayuan; Lin, Dingchang; Jin, Yang; ...

2017-10-01

Solid-state lithium (Li) metal batteries are prominent among next-generation energy storage technologies due to their significantly high energy density and reduced safety risks. Previously, solid electrolytes have been intensively studied and several materials with high ionic conductivity have been identified. However, there are still at least three obstacles before making the Li metal foil-based solid-state systems viable, namely, high interfacial resistance at the Li/electrolyte interface, low areal capacity, and poor power output. The problems are addressed by incorporating a flowable interfacial layer and three-dimensional Li into the system. The flowable interfacial layer can accommodate the interfacial fluctuation and guarantee excellentmore » adhesion at all time, whereas the three-dimensional Li significantly reduces the interfacial fluctuation from the whole electrode level (tens of micrometers) to local scale (submicrometer) and also decreases the effective current density for high-capacity and high-power operations. As a consequence, both symmetric and full-cell configurations can achieve greatly improved electrochemical performances in comparison to the conventional Li foil, which are among the best reported values in the literature. Noticeably, solid-state full cells paired with high–mass loading LiFePO4 exhibited, at 80°C, a satisfactory specific capacity even at a rate of 5 C (110 mA·hour g -1) and a capacity retention of 93.6% after 300 cycles at a current density of 3 mA cm -2 using a composite solid electrolyte middle layer. In addition, when a ceramic electrolyte middle layer was adopted, stable cycling with greatly improved capacity could even be realized at room temperature.« less

Characteristics of the Martian atmosphere surface layer

NASA Technical Reports Server (NTRS)

Clow, G. D.; Haberle, R. M.

1990-01-01

Elements of various terrestrial boundary layer models are extended to Mars in order to estimate sensible heat, latent heat, and momentum fluxes within the Martian atmospheric surface ('constant flux') layer. The atmospheric surface layer consists of an interfacial sublayer immediately adjacent to the ground and an overlying fully turbulent surface sublayer where wind-shear production of turbulence dominates buoyancy production. Within the interfacial sublayer, sensible and latent heat are transported by non-steady molecular diffusion into small-scale eddies which intermittently burst through this zone. Both the thickness of the interfacial sublayer and the characteristics of the turbulent eddies penetrating through it depend on whether airflow is aerodynamically smooth or aerodynamically rough, as determined by the Roughness Reynold's number. Within the overlying surface sublayer, similarity theory can be used to express the mean vertical windspeed, temperature, and water vapor profiles in terms of a single parameter, the Monin-Obukhov stability parameter. To estimate the molecular viscosity and thermal conductivity of a CO2-H2O gas mixture under Martian conditions, parameterizations were developed using data from the TPRC Data Series and the first-order Chapman-Cowling expressions; the required collision integrals were approximated using the Lenard-Jones potential. Parameterizations for specific heat and binary diffusivity were also determined. The Brutsart model for sensible and latent heat transport within the interfacial sublayer for both aerodynamically smooth and rough airflow was experimentally tested under similar conditions, validating its application to Martian conditions. For the surface sublayer, the definition of the Monin-Obukhov length was modified to properly account for the buoyancy forces arising from water vapor gradients in the Martian atmospheric boundary layer. It was found that under most Martian conditions, the interfacial and surface sublayers offer roughly comparable resistance to sensible heat and water vapor transport and are thus both important in determining the associated fluxes.

Dual frequency, dual polarized, multi-layered microstrip slot and dipole array antenna

NASA Technical Reports Server (NTRS)

Tulintseff, Ann N. (Inventor)

1995-01-01

An antenna array system is disclosed which uses subarrays of slots and subarrays of dipoles on separate planes. The slots and dipoles respectively are interleaved, which is to say there is minimal overlap between them. Each subarray includes a microstrip transmission line and a plurality of elements extending perpendicular thereto. The dipoles form the transmission elements and the slots form the receive elements. The plane in which the slots are formed also forms a ground plane for the dipoles--hence the feed to the dipole is on the opposite side of this ground plane as the feed to the slots. HPAs are located adjacent the dipoles on one side of the substrate and LNAs are located adjacent the slots on the other side of the substrate. The dipoles and slots are tuned by setting different offsets between each element and the microstrip transmission line.

On the Impact of Electrostatic Correlations on the Double-Layer Polarization of a Spherical Particle in an Alternating Current Field.

PubMed

Alidoosti, Elaheh; Zhao, Hui

2018-05-15

At concentrated electrolytes, the ion-ion electrostatic correlation effect is considered an important factor in electrokinetics. In this paper, we compute, in theory and simulation, the dipole moment for a spherical particle (charged, dielectric) under the action of an alternating electric field using the modified continuum Poisson-Nernst-Planck (PNP) model by Bazant et al. [ Double Layer in Ionic Liquids: Overscreening Versus Crowding . Phys. Rev. Lett. 2011 , 106 , 046102 ] We investigate the dependency of the dipole moment in terms of frequency and its variation with such quantities like ζ-potential, electrostatic correlation length, and double-layer thickness. With thin electric double layers, we develop simple models through performing an asymptotic analysis of the modified PNP model. We also present numerical results for an arbitrary Debye screening length and electrostatic correlation length. From the results, we find a complicated impact of electrostatic correlations on the dipole moment. For instance, with increasing the electrostatic correlation length, the dipole moment decreases and reaches a minimum and then it goes up. This is because of initially decreasing of surface conduction and finally increasing due to the impact of ion-ion electrostatic correlations on ion's convection and migration. Also, we show that in contrast to the standard PNP model, the modified PNP model can qualitatively explain the data from the experimental results in multivalent electrolytes.

A Novel, Diazonium-Phenolic Resin Two-Layer Resist System Utilizing Photoinduced Interfacial Insolubilization

NASA Astrophysics Data System (ADS)

Uchino, Shou-ichi; Iwayanagi, Takao; Ueno, Takumi; Hashimoto, Michiaki; Nonogaki, Saburo

1987-08-01

This paper deals with a negative two-layer photoresist system utilizing a photoinduced insolubilization process at the interface. The bottom layer is a phenolic resin either with or without aromatic azide and the top layer is a photosensitive layer comprised of an aromatic diazonium compound and a water soluble polymer. Upon exposure to light, the diazo compound decomposes to cause insolubilization at the interface between the two layers. The system exhibits high contrast due to the combination of interfacial insolubilization and contrast enhancement by photobleaching of the diazonium compound. Patterns of 0.5 um lines and spaces are obtained using an i-line stepper and a resist system containing 4-diazo-N,N-dimethylaniline chloride zinc chloride in the top layer and 3-(4-azidostyry1)- 5,5-dimethyl- 2-cyclohexen-1-one in the bottom layer. Resists with varying spectral responses from mid-UV to g-line can be designed by selecting the kind of diazo compound used in the top layer.

Influence of Interfacial Carbide Layer Characteristics on Thermal Properties of Copper-Diamond Composites (Postprint)

DTIC Science & Technology

2014-04-01

wettability of diamond is not an issue. Moreover, the solid-state processing can, in principle , be carried out at relatively low temperatures even for non...capacity. q was mea- sured using Archimedes ’ method, and D was measured with laser flash technique per ASTM E1461. The speci- mens for D measurement... principle , attainable by changing the interfacial Cr3C2 layer characteristics. In an earlier study [3], for a given diamond particle size and volume

Capacitance of the Double Layer Formed at the Metal/Ionic-Conductor Interface: How Large Can It Be?

NASA Astrophysics Data System (ADS)

Skinner, Brian; Loth, M. S.; Shklovskii, B. I.

2010-03-01

The capacitance of the double layer formed at a metal/ionic-conductor interface can be remarkably large, so that the apparent width of the double layer is as small as 0.3 Å. Mean-field theories fail to explain such large capacitance. We propose an alternate theory of the ionic double layer which allows for the binding of discrete ions to their image charges in the metal. We show that at small voltages the capacitance of the double layer is limited only by the weak dipole-dipole repulsion between bound ions, and is therefore very large. At large voltages the depletion of bound ions from one of the capacitor electrodes triggers a collapse of the capacitance to the mean-field value.

Interfacial mixing in as-deposited Si/Ni/Si layers analyzed by x-ray and polarized neutron reflectometry

NASA Astrophysics Data System (ADS)

Bhattacharya, Debarati; Basu, Saibal; Singh, Surendra; Roy, Sumalay; Dev, Bhupendra Nath

2012-12-01

Interdiffusion occurring across the interfaces in a Si/Ni/Si layered system during deposition at room temperature was probed using x-ray reflectivity (XRR) and polarized neutron reflectivity (PNR). Exploiting the complementarity of these techniques, both structural and magnetic characterization with nanometer depth resolution could be achieved. Suitable model fitting of the reflectivity profiles identified the formation of Ni-Si mixed alloy layers at the Si/Ni and Ni/Si interfaces. The physical parameters of the layered structure, including quantitative assessment of the stoichiometry of interfacial alloys, were obtained from the analyses of XRR and PNR patterns. In addition, PNR provided magnetic moment density profile as a function of depth in the stratified medium.

Rheology of interfacial protein-polysaccharide composites

NASA Astrophysics Data System (ADS)

Fischer, P.

2013-05-01

The morphology and mechanical properties of protein adsorption layers can significantly be altered by the presence of surfactants, lipids, particles, other proteins, and polysaccharides. In food emulsions, polysaccharides are primarily considered as bulk thickener but can under appropriate environmental conditions stabilize or destabilize the protein adsorption layer and, thus, the entire emulsion system. Despite their ubiquitous usage as stabilization agent, relatively few investigations focus on the interfacial rheology of composite protein/polysaccharide adsorption layers. The manuscript provides a brief review on both main stabilization mechanisms, thermodynamic phase separation and electrostatic interaction and discusses the rheological response in light of the environmental conditions such as ionic strength and pH.

Interfacial Properties of Germanium Nitride Dielectric Layers on Germanium.

DTIC Science & Technology

1986-09-30

choice or a process for growing Ge N , layers on germa - nium. a number of workers have employed various de. mum. posited layers on germanium. While...N00014-84-K-0459 V6 Office of Naval Research (Mr. Max N . Yoder, Electronic Division) 4: 800 North Quincy Street Arlington, Virginia 22217 Interfacial...z4) 3 Co0 C14 CM- Lfl n X sj E 𔃺 01 N S) Li (m* m n1 Ln m CU OT X)-(, (L 0IX) D/13si E- 1 0n CtZ) 4-4C ~ IN I- I L L0tX Cd) JN N in - Growth of

Interfacial layers evolution during annealing in Ti-Al multi-laminated composite processed using hot press and roll bonding

NASA Astrophysics Data System (ADS)

Assari, A. H.; Eghbali, B.

2016-09-01

Ti-Al multi-laminated composites have great potential in high strength and low weight structures. In the present study, tri-layer Ti-Al composite was synthesized by hot press bonding under 40 MPa at 570 °C for 1 h and subsequent hot roll bonding at about 450 °C. This process was conducted in two accumulative passes to 30% and to 67% thickness reduction in initial and final passes, respectively. Then, the final annealing treatments were done at 550, 600, 650, 700 and 750 °C for 2, 4 and 6 h. Investigations on microstructural evolution and thickening of interfacial layers were performed by scanning electron microscopes, energy dispersive spectrometer, X-ray diffraction and micro-hardness tests. The results showed that the thickening of diffusion layers corresponds to amount of deformation. In addition to thickening of the diffusion layers, the thickness of aluminum layers decreased and after annealing treatment at 750 °C for 6 h the aluminum layers were consumed entirely, which occurred because of the enhanced interdiffusion of Ti and Al elements. Scanning electron microscope equipped with energy dispersive spectrometer showed that the sequence of interfacial layers as Ti3Al-TiAl-TiAl2-TiAl3 which are believed to be the result of thermodynamic and kinetic of phase formation. Micro-hardness results presented the variation profile in accordance with the sequence of intermetallic phases and their different structures.

Understanding the interfacial behavior of lysozyme on Au (111) surfaces with multiscale simulations

NASA Astrophysics Data System (ADS)

Samieegohar, Mohammadreza; Ma, Heng; Sha, Feng; Jahan Sajib, Md Symon; Guerrero-García, G. Iván; Wei, Tao

2017-02-01

The understanding of the adsorption and interfacial behavior of proteins is crucial to the development of novel biosensors and biomaterials. By using bottom-up atomistic multiscale simulations, we study here the adsorption of lysozyme on Au(111) surfaces in an aqueous environment. Atomistic simulations are used to calculate the inhomogeneous polarization of the gold surface, which is induced by the protein adsorption, and by the presence of an interfacial layer of water molecules and monovalent salts. The corresponding potential of mean force between the protein and the gold surface including polarization effects is used in Langevin Dynamics simulations to study the time dependent behavior of proteins at finite concentration. These simulations display a rapid adsorption and formation of a first-layer of proteins at the interface. Proteins are initially adsorbed directly on the gold surface due to the strong protein-surface attractive interaction. A subsequent interfacial weak aggregation of proteins leading to multilayer build-up is also observed at long times.

Quality improvements of ZnxCdyMg1-x-ySe layers grown on InP substrates by a thin ZnCdSe interfacial layer

NASA Astrophysics Data System (ADS)

Zeng, L.; Yang, B. X.; Tamargo, M. C.; Snoeks, E.; Zhao, L.

1998-03-01

The quality of lattice-matched ZnxCdyMg1-x-ySe epitaxial layers grown on (001) InP substrates with a III-V buffer layer has been improved by initially growing a ZnCdSe interfacial layer (50 Å) at low temperature. The widths of double crystal x-ray rocking curves for ZnxCdyMg1-x-ySe epilayers with band gaps as high as 3.05 eV were reduced to about 70 arcsec. The defect density evaluated from etch pit density and plan-view transmission electron microscopy measurements was reduced by two orders of magnitude, to 106-107cm-2. The photoluminescence band edge emission became more symmetric and slightly narrower. It is proposed that an initial two-dimensional growth mode has been achieved by incorporating such a lattice-matched ZnCdSe layer.

Improvement in the breakdown endurance of high-κ dielectric by utilizing stacking technology and adding sufficient interfacial layer.

PubMed

Pang, Chin-Sheng; Hwu, Jenn-Gwo

2014-01-01

Improvement in the time-zero dielectric breakdown (TZDB) endurance of metal-oxide-semiconductor (MOS) capacitor with stacking structure of Al/HfO2/SiO2/Si is demonstrated in this work. The misalignment of the conduction paths between two stacking layers is believed to be effective to increase the breakdown field of the devices. Meanwhile, the resistance of the dielectric after breakdown for device with stacking structure would be less than that of without stacking structure due to a higher breakdown field and larger breakdown power. In addition, the role of interfacial layer (IL) in the control of the interface trap density (D it) and device reliability is also analyzed. Device with a thicker IL introduces a higher breakdown field and also a lower D it. High-resolution transmission electron microscopy (HRTEM) of the samples with different IL thicknesses is provided to confirm that IL is needed for good interfacial property.

Formation of alternating interfacial layers in Au-12Ge/Ni joints

PubMed Central

Lin, Shih-kang; Tsai, Ming-yueh; Tsai, Ping-chun; Hsu, Bo-hsun

2014-01-01

Au-Ge alloys are promising materials for high-power and high-frequency packaging, and Ni is frequently used as diffusion barriers. This study investigates interfacial reactions in Au-12Ge/Ni joints at 300°C and 400°C. For the reactions at 300°C, typical interfacial morphology was observed and the diffusion path was (Au) + (Ge)/NiGe/Ni5Ge3/Ni. However, an interesting phenomenon – the formation of (Au,Ni,Ge)/NiGe alternating layers – was observed for the reactions at 400°C. The diffusion path across the interface was liquid/(Au,Ni,Ge)/NiGe/···/(Au,Ni,Ge)/NiGe/Ni2Ge/Ni. The periodic thermodynamic instability at the NiGe/Ni2Ge interface caused the subsequent nucleation of new (Au,Ni,Ge)/NiGe pairs. The thermodynamic foundation and mechanism of formation of the alternating layers are elaborated in this paper. PMID:24690992

Electrochemical Grafting of Graphene Nano Platelets with Aryl Diazonium Salts.

PubMed

Qiu, Zhipeng; Yu, Jun; Yan, Peng; Wang, Zhijie; Wan, Qijin; Yang, Nianjun

2016-10-26

To vary interfacial properties, electrochemical grafting of graphene nano platelets (GNP) with 3,5-dichlorophenyl diazonium tetrafluoroborate (aryl-Cl) and 4-nitrobenzene diazonium tetrafluoroborate (aryl-NO 2 ) was realized in a potentiodynamic mode. The covalently bonded aryl layers on GNP were characterized using atomic force microscopy and X-ray photoelectron spectroscopy. Electrochemical conversion of aryl-NO 2 into aryl-NH 2 was conducted. The voltammetric and impedance behavior of negatively and positively charged redox probes (Fe(CN) 6 3-/4- and Ru(NH 3 ) 6 2+/3+ ) on three kinds of aryl layers grafted on GNP reveal that their interfacial properties are determined by the charge states of redox probes and reactive terminal groups (-Cl, -NO 2 , -NH 2 ) in aryl layers. On aryl-Cl and aryl-NH 2 garted GNP, selective and sensitive monitoring of positively charged lead ions as well as negatively charged nitrite and sulfite ions was achieved, respectively. Such a grafting procedure is thus a perfect way to design and control interfacial properties of graphene.

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

Li, Binzhi; Chopdekar, Rajesh V.; N'Diaye, Alpha T.

The impact of interfacial electronic reconstruction on the magnetic characteristics of La0.7Sr0.3CoO3 (LSCO)/La0.7Sr0.3MnO3 (LSMO) superlattices was investigated as a function of layer thickness using a combination of soft x-ray magnetic spectroscopy and bulk magnetometry. We found that the magnetic properties of the LSCO layers are impacted by two competing electronic interactions occurring at the LSCO/substrate and LSMO/LSCO interfaces. For thin LSCO layers (< 5 nm), the heterostructures exist in a highly coupled state where the chemically distinct layers behave as a single magnetic compound with magnetically active Co2+ ions. As the LSCO thickness increases, a high coercivity LSCO layer developsmore » which biases a low coercivity layer, which is composed not only of the LSMO layer, but also an interfacial LSCO layer. These results suggest a new route to tune the magnetic properties of transition metal oxide heterostructures through careful control of the interface structure.« less

Interfacial layers in high-temperature-oxidized NiCrAl

NASA Technical Reports Server (NTRS)

Larson, L. A.; Browning, R.; Poppa, H.; Smialek, J.

1983-01-01

The utility of Auger electron spectroscopy combined with ball cratering for depth analysis of oxide and diffusion layers produced in a Ni-14Cr-24Al alloy by oxidation in air at 1180 C for 25 hr is demonstrated. During postoxidation cooling, the oxide layers formed by this alloy spalled profusely. The remaining very thin oxide was primarily Cr2O3 with a trace of Ni. The underlying metal substrate exhibited gamma/gamma-prime and beta phases with a metallic interfacial layer which was similar to the bulk gamma/gamma-prime phase but slightly enriched in Cr and Al. These data are compared to electron microprobe results from a nominally identical alloy. The diffusion layer thickness is modelled with a simple mass balance equation and compared to recent results on the diffusion process in NiCrAl alloys.

Interfacial, Electrical, and Band Alignment Characteristics of HfO2/Ge Stacks with In Situ-Formed SiO2 Interlayer by Plasma-Enhanced Atomic Layer Deposition

NASA Astrophysics Data System (ADS)

Cao, Yan-Qiang; Wu, Bing; Wu, Di; Li, Ai-Dong

2017-05-01

In situ-formed SiO2 was introduced into HfO2 gate dielectrics on Ge substrate as interlayer by plasma-enhanced atomic layer deposition (PEALD). The interfacial, electrical, and band alignment characteristics of the HfO2/SiO2 high-k gate dielectric stacks on Ge have been well investigated. It has been demonstrated that Si-O-Ge interlayer is formed on Ge surface during the in situ PEALD SiO2 deposition process. This interlayer shows fantastic thermal stability during annealing without obvious Hf-silicates formation. In addition, it can also suppress the GeO2 degradation. The electrical measurements show that capacitance equivalent thickness of 1.53 nm and a leakage current density of 2.1 × 10-3 A/cm2 at gate bias of Vfb + 1 V was obtained for the annealed sample. The conduction (valence) band offsets at the HfO2/SiO2/Ge interface with and without PDA are found to be 2.24 (2.69) and 2.48 (2.45) eV, respectively. These results indicate that in situ PEALD SiO2 may be a promising interfacial control layer for the realization of high-quality Ge-based transistor devices. Moreover, it can be demonstrated that PEALD is a much more powerful technology for ultrathin interfacial control layer deposition than MOCVD.

Interfacial, Electrical, and Band Alignment Characteristics of HfO2/Ge Stacks with In Situ-Formed SiO2 Interlayer by Plasma-Enhanced Atomic Layer Deposition.

PubMed

Cao, Yan-Qiang; Wu, Bing; Wu, Di; Li, Ai-Dong

2017-12-01

In situ-formed SiO 2 was introduced into HfO 2 gate dielectrics on Ge substrate as interlayer by plasma-enhanced atomic layer deposition (PEALD). The interfacial, electrical, and band alignment characteristics of the HfO 2 /SiO 2 high-k gate dielectric stacks on Ge have been well investigated. It has been demonstrated that Si-O-Ge interlayer is formed on Ge surface during the in situ PEALD SiO 2 deposition process. This interlayer shows fantastic thermal stability during annealing without obvious Hf-silicates formation. In addition, it can also suppress the GeO 2 degradation. The electrical measurements show that capacitance equivalent thickness of 1.53 nm and a leakage current density of 2.1 × 10 -3 A/cm 2 at gate bias of V fb  + 1 V was obtained for the annealed sample. The conduction (valence) band offsets at the HfO 2 /SiO 2 /Ge interface with and without PDA are found to be 2.24 (2.69) and 2.48 (2.45) eV, respectively. These results indicate that in situ PEALD SiO 2 may be a promising interfacial control layer for the realization of high-quality Ge-based transistor devices. Moreover, it can be demonstrated that PEALD is a much more powerful technology for ultrathin interfacial control layer deposition than MOCVD.

Ultra-low thermal conductivity of high-interface density Si/Ge amorphous multilayers

NASA Astrophysics Data System (ADS)

Goto, Masahiro; Xu, Yibin; Zhan, Tianzhuo; Sasaki, Michiko; Nishimura, Chikashi; Kinoshita, Yohei; Ishikiriyama, Mamoru

2018-04-01

Owing to their phonon scattering and interfacial thermal resistance (ITR) characteristics, inorganic multilayers (MLs) have attracted considerable attention for thermal barrier applications. In this study, a-Si/a-Ge MLs with layer thicknesses ranging from 0.3 to 5 nm and different interfacial elemental mixture states were fabricated using a combinatorial sputter-coating system, and their thermal conductivities were measured via a frequency-domain thermo-reflectance method. An ultra-low thermal conductivity of κ = 0.29 ± 0.01 W K-1 m-1 was achieved for a layer thickness of 0.8 nm. The ITR was found to decrease from 8.5 × 10-9 to 3.6 × 10-9 m2 K W-1 when the interfacial density increases from 0.15 to 0.77 nm-1.

Foaming and adsorption behavior of bovine and camel proteins mixed layers at the air/water interface.

PubMed

Lajnaf, Roua; Picart-Palmade, Laetitia; Attia, Hamadi; Marchesseau, Sylvie; Ayadi, M A

2017-03-01

The aim of this work was to examine foaming and interfacial behavior of three milk protein mixtures, bovine α-lactalbumin-β-casein (M1), camel α-lactalbumin-β-casein (M2) and β-lactoglobulin-β-casein (M3), alone and in binary mixtures, at the air/water interface in order to better understand the foaming properties of bovine and camel milks. Different mixture ratios (100:0; 75:25; 50:50; 25:75; 0:100) were used during foaming tests and interfacial protein interactions were studied with a pendant drop tensiometer. Experimental results evidenced that the greatest foam was obtained with a higher β-casein amount in all camel and bovine mixtures. Good correlation was observed with the adsorption and the interfacial rheological properties of camel and bovine protein mixtures. The proteins adsorbed layers are mainly affected by the presence of β-casein molecules, which are probably the most abundant protein at interface and the most efficient in reducing the interfacial properties. In contrast of, the globular proteins, α-lactalbumin and β-lactoglobulin that are involved in the protein layer composition, but could not compact well at the interface to ensure foams creation and stabilization because of their rigid molecular structure. Copyright © 2016 Elsevier B.V. All rights reserved.

Controllable Spatial Configuration on Cathode Interface for Enhanced Photovoltaic Performance and Device Stability.

PubMed

Li, Jiangsheng; Duan, Chenghao; Wang, Ning; Zhao, Chengjie; Han, Wei; Jiang, Li; Wang, Jizheng; Zhao, Yingjie; Huang, Changshui; Jiu, Tonggang

2018-05-08

The molecular structure of cathode interface modification materials can affect the surface morphology of the active layer and key electron transfer processes occurring at the interface of polymer solar cells in inverted structures mostly due to the change of molecular configuration. To investigate the effects of spatial configuration of the cathode interfacial modification layer on polymer solar cells device performances, we introduced two novel organic ionic salts (linear NS2 and three-dimensional (3D) NS4) combined with the ZnO film to fabricate highly efficient inverted solar cells. Both organic ionic salts successfully decreased the surface traps of the ZnO film and made its work function more compatible. Especially NS4 in three-dimensional configuration increased the electron mobility and extraction efficiency of the interfacial film, leading to a significant improvement of device performance. Power conversion efficiency (PCE) of 10.09% based on NS4 was achieved. Moreover, 3D interfacial modification could retain about 92% of its initial PCE over 160 days. It is proposed that 3D interfacial modification retards the element penetration-induced degradation without impeding the electron transfer from the active layer to the ZnO film, which significantly improves device stability. This indicates that inserting three-dimensional organic ionic salt is an efficient strategy to enhance device performance.

Reduced Capillary Length Scale in the Application of Ostwald Ripening Theory to the Coarsening of Charged Colloidal Crystals in Electrolyte Solutions

NASA Astrophysics Data System (ADS)

Rowe, Jeffrey D.; Baird, James K.

2007-06-01

A colloidal crystal suspended in an electrolyte solution will ordinarily exchange ions with the surrounding solution and develop a net surface charge density and a corresponding double layer. The interfacial tension of the charged surface has contributions arising from: (a) background interfacial tension of the uncharged surface, (b) the entropy associated with the adsorption of ions on the surface, and (c) the polarizing effect of the electrostatic field within the double layer. The adsorption and polarization effects make negative contributions to the surface free energy and serve to reduce the interfacial tension below the value to be expected for the uncharged surface. The diminished interfacial tension leads to a reduced capillary length scale. According to the Ostwald ripening theory of particle coarsening, the reduced capillary length will cause the solute supersaturation to decay more rapidly and the colloidal particles to be smaller in size and greater in number than in the absence of the double layer. Although the length scale for coarsening should be little affected in the case of inorganic colloids, such as AgI, it should be greatly reduced in the case of suspensions of protein crystals, such as apoferritin, catalase, and thaumatin.

Interfacial chemistry of a perfluoropolyether lubricant studied by X-ray photoelectron spectroscopy and temperature desorption spectroscopy

NASA Technical Reports Server (NTRS)

Herrera-Fierro, Pilar; Jones, William R., Jr.; Pepper, Stephen V.

1993-01-01

The interfacial chemistry of Fomblin Z25, a commercial perfluoropolyether used as lubricant for space applications was studied with different metallic surfaces: 440C steel, gold, and aluminum. Thin layers of Fomblin Z25 were evaporated onto the oxide-free substrates, and the interfacial chemistry was studied using XPS and TDS. The reactions were induced by heating the substrate and by rubbing the substrate with a steel ball. Gold was found to be completely unreactive towards Fomblin at any temperature. Reaction at room temperature was observed only in the case of the aluminum substrate, the most reactive towards Fomblin Z25 of the substrates studied. It was necessary to heat the 440C steel substrate to 190 C to induce decomposition of the fluid. The degradation of the fluid was indicated by the formation of a debris layer at the interface. This debris layer, composed of inorganic and organic reaction products, when completely formed, passivated the surface from further attack to the Fromblin on top. The tribologically induced reactions on 440C steel formed a debris layer of similar chemical characteristics to the thermally induced layer. In all cases, the degradation reaction resulted in preferential consumption of the difluoroformyl carbon (-OCF2O-).

Study of corrosion-related defects of zirconium alloys with slow positron beam

NASA Astrophysics Data System (ADS)

Zhu, Zhejie; Yao, Meiyi; Shi, Jianjian; Yao, Chunlong; Lu, Eryang; Cao, Xingzhong; Wang, Baoyi; Wu, Yichu

2018-09-01

The corrosion behavior of Zr-4 and N5 alloy specimens corroded in 0.01 mol/L LiOH aqueous solution at 360 °C/18.6 MPa and in super heated steam at 400 °C/10.3 MPa for 1, 3 and 14 days were investigated by slow positron beam based Doppler broadening spectroscopy. Results showed that there was an evident interfacial layer with pre-existed vacancies and voids in uncorroded Zr-4 specimens, while in uncorroded N5 specimen, the interfacial defect layer can not be identified or a thin interfacial layer was only contained. When the specimens were corroded in super heated steam at 400 °C/10.3 MPa for a few days, the existence of the interface layer in the Zr-4 specimen would delay the diffusion rate of the oxygen atoms and decelerated the oxidation rate of the corrosion process. However, at very early stage of the corrosion, as Zr-4 and N5 specimens were corrded in 0.01 mol/L LiOH aqueous solution at 360 °C/18.6 MPa, the effect of Li+ accelerated the diffusion rate of the oxygen atoms, while the effect of the interface defect layer became a minor effect.

The principle of minimal episteric distortion of the water matrix and its steering role in protein folding

NASA Astrophysics Data System (ADS)

Fernández, Ariel

2013-08-01

A significant episteric ("around a solid") distortion of the hydrogen-bond structure of water is promoted by solutes with nanoscale surface detail and physico-chemical complexity, such as soluble natural proteins. These structural distortions defy analysis because the discrete nature of the solvent at the interface is not upheld by the continuous laws of electrostatics. This work derives and validates an electrostatic equation that governs the episteric distortions of the hydrogen-bond matrix. The equation correlates distortions from bulk-like structural patterns with anomalous polarization components that do not align with the electrostatic field of the solute. The result implies that the interfacial energy stored in the orthogonal polarization correlates with the distortion of the water hydrogen-bond network. The result is validated vis-à-vis experimental data on protein interfacial thermodynamics and is interpreted in terms of the interaction energy between the electrostatic field of the solute and the dipole moment induced by the anomalous polarization of interfacial water. Finally, we consider solutes capable of changing their interface through conformational transitions and introduce a principle of minimal episteric distortion (MED) of the water matrix. We assess the importance of the MED principle in the context of protein folding, concluding that the native fold may be identified topologically with the conformation that minimizes the interfacial tension or disruption of the water matrix.

Viewpoint 9--molecular structure of aqueous interfaces

NASA Technical Reports Server (NTRS)

Pohorille, A.; Wilson, M. A.

1993-01-01

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Enhanced Corrosion Resistance and Interfacial Conductivity of TiC x/a-C Nanolayered Coatings via Synergy of Substrate Bias Voltage for Bipolar Plates Applications in PEMFCs.

PubMed

Yi, Peiyun; Zhang, Weixin; Bi, Feifei; Peng, Linfa; Lai, Xinmin

2018-06-06

Proton-exchange membrane fuel cells are one kind of renewable and clean energy conversion device, whose metallic bipolar plates are one of the key components. However, high interfacial contact resistance and poor corrosion resistance are still great challenges for the commercialization of metallic bipolar plates. In this study, we demonstrated a novel strategy for depositing TiC x /amorphous carbon (a-C) nanolayered coatings by synergy of 60 and 300 V bias voltage to enhance corrosion resistance and interfacial conductivity. The synergistic effects of bias voltage on the composition, microstructure, surface roughness, electrochemical corrosion behaviors, and interfacial conductivity of TiC x /a-C coatings were explored. The results revealed that the columnar structures in the inner layer were suppressed and the surface became rougher with the 300 V a-C layer outside. The composition analysis indicated that the sp 2 content increased with an increase of 300 V sputtering time. Due to the synergy strategy of bias voltage, lower corrosion current densities were achieved both in potentiostatic polarization (1.6 V vs standard hydrogen electrode) and potentiodynamic polarization. With the increase of 300 V sputtering time, the interfacial conductivity was improved. The enhanced corrosion resistance and interfacial conductivity of the TiC x /a-C coatings would provide new opportunities for commercial bipolar plates.

Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study

NASA Astrophysics Data System (ADS)

Marsusi, F.; Fedorov, I. A.; Gerivani, S.

2018-01-01

Density functional theory and many-body perturbation theory at the G0W0 level are employed to study the electronic properties of polythiophene (PT) adsorbed on the graphene surface. Analysis of the charge density difference shows that substrate-adsorbate interaction leads to a strong physisorption and interfacial electric dipole moment formation. The electrostatic potential displays a  -0.19 eV shift in the graphene work function from its initial value of 4.53 eV, as the result of the interaction. The LDA band gap of the polymer does not show any change. However, the band structure exhibits weak orbital hybridizations resulting from slight overlapping between the polymer and graphene states wave functions. The interfacial polarization effects on the band gap and levels alignment are investigated at the G0W0 level and show a notable reduction of PT band gap compared to that of the isolated chain.

Negative polarity of phenyl-C{sub 61} butyric acid methyl ester adjacent to donor macromolecule domains

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

Alley, Olivia J.; Dawidczyk, Thomas J.; Hardigree, Josué F. Martínez

2015-01-19

Interfacial fields within organic photovoltaics influence the movement of free charge carriers, including exciton dissociation and recombination. Open circuit voltage (V{sub oc}) can also be dependent on the interfacial fields, in the event that they modulate the energy gap between donor HOMO and acceptor LUMO. A rise in the vacuum level of the acceptor will increase the gap and the V{sub oc}, which can be beneficial for device efficiency. Here, we measure the interfacial potential differences at donor-acceptor junctions using Scanning Kelvin Probe Microscopy, and quantify how much of the potential difference originates from physical contact between the donor andmore » acceptor. We see a statistically significant and pervasive negative polarity on the phenyl-C{sub 61} butyric acid methyl ester (PCBM) side of PCBM/donor junctions, which should also be present at the complex interfaces in bulk heterojunctions. This potential difference may originate from molecular dipoles, interfacial interactions with donor materials, and/or equilibrium charge transfer due to the higher work function and electron affinity of PCBM. We show that the contact between PCBM and poly(3-hexylthiophene) doubles the interfacial potential difference, a statistically significant difference. Control experiments determined that this potential difference was not due to charges trapped in the underlying substrate. The direction of the observed potential difference would lead to increased V{sub oc}, but would also pose a barrier to electrons being injected into the PCBM and make recombination more favorable. Our method may allow unique information to be obtained in new donor-acceptor junctions.« less

Nanoparticle packing within block copolymer micelles prepared by the interfacial instability method.

PubMed

Nabar, Gauri M; Winter, Jessica O; Wyslouzil, Barbara E

2018-05-02

The interfacial instability method has emerged as a viable approach for encapsulating high concentrations of nanoparticles (NPs) within morphologically diverse micelles. In this method, transient interfacial instabilities at the surface of an emulsion droplet guide self-assembly of block co-polymers and NP encapsulants. Although used by many groups, there are no systematic investigations exploring the relationship between NP properties and micelle morphology. Here, the effect of quantum dot (QD) and superparamagnetic iron oxide NP (SPION) concentration on the shape, size, and surface deformation of initially spherical poly(styrene-b-ethylene oxide) (PS-b-PEO) micelles was examined. Multi-NP encapsulation and uniform dispersion within micelles was obtained even at low NP concentrations. Increasing NP concentration initially resulted in larger numbers of elongated micelles and cylinders with tightly-controlled diameters smaller than those of spherical micelles. Beyond a critical NP concentration, micelle formation was suppressed; the dominant morphology became densely-loaded NP structures that were coated with polymer and exhibited increased polydispersity. Transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS) revealed that NPs in densely-loaded structures can be well-ordered, with packing volume fractions of up to 24%. These effects were enhanced in magnetic composites, possibly by dipole interactions. Mechanisms governing phase transitions triggered by NP loading in the interfacial instability process were proposed. The current study helps establish and elucidate the active role played by NPs in directing block copolymer assembly in the interfacial instability process, and provides important guiding principles for the use of this approach in generating NP-loaded block copolymer composites.

Execution of deep dipole geoelectrical soundings in areas of geothermal interest. Final report

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

Patella, D.

It is suggested that deep geoelectrical problems may be resolved by carrying out dipole soundings in the field and applying a quantitative interpretation in the Schlumberger domain. The 'transformation' of original field dipole sounding curves into equivalent Schlumberger curves is outlined for the cases of layered structures and arbitrary underground structures. Theoretical apparent resistivity curves are derived for soundings over bidimensional structures. Following a summary of the geological features of the Travale-Radicondoli geothermal area of Italy, the dipole sounding method employed for this field study and the means of collecting and analyzing the data, are outlined.

A biomimetic approach to enhancing interfacial interactions: polydopamine-coated clay as reinforcement for epoxy resin.

PubMed

Yang, Liping; Phua, Si Lei; Teo, Jun Kai Herman; Toh, Cher Ling; Lau, Soo Khim; Ma, Jan; Lu, Xuehong

2011-08-01

A facile biomimetic method was developed to enhance the interfacial interaction in polymer-layered silicate nanocomposites. By mimicking mussel adhesive proteins, a monolayer of polydopamine was constructed on clay surface by a controllable coating method. The modified clay (D-clay) was incorporated into an epoxy resin, it is found that the strong interfacial interactions brought by the polydopamine benefits not only the dispersion of the D-clay in the epoxy but also the effective interfacial stress transfer, leading to greatly improved thermomechanical properties at very low inorganic loadings. Rheological and infrared spectroscopic studies show that the interfacial interactions between the D-clay and epoxy are dominated by the hydrogen bonds between the catechol-enriched polydopamine and the epoxy.

Dipolar response of hydrated proteins

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2012-02-01

The paper presents an analytical theory and numerical simulations of the dipolar response of hydrated proteins in solution. We calculate the effective dielectric constant representing the average dipole moment induced at the protein by a uniform external field. The dielectric constant shows a remarkable variation among the proteins, changing from 0.5 for ubiquitin to 640 for cytochrome c. The former value implies a negative dipolar susceptibility, that is a dia-electric dipolar response and negative dielectrophoresis. It means that ubiquitin, carrying an average dipole of ≃240 D, is expected to repel from the region of a stronger electric field. This outcome is the result of a negative cross-correlation between the protein and water dipoles, compensating for the positive variance of the intrinsic protein dipole in the overall dipolar susceptibility. In contrast to the neutral ubiquitin, charged proteins studied here show para-electric dipolar response and positive dielectrophoresis. The study suggests that the dipolar response of proteins in solution is strongly affected by the coupling of the protein surface charge to the hydration water. The protein-water dipolar cross-correlations are long-ranged, extending ˜2 nm from the protein surface into the bulk. A similar correlation length of about 1 nm is seen for the electrostatic potential produced by the hydration water inside the protein. The analysis of numerical simulations suggests that the polarization of the protein-water interface is highly heterogeneous and does not follow the standard dielectric results for cavities carved in dielectrics. The polarization of the water shell gains in importance, relative to the intrinsic protein dipole, at high frequencies, above the protein Debye peak. The induced interfacial dipole can be either parallel or antiparallel to the protein dipole, depending on the distribution of the protein surface charge. As a result, the high-frequency absorption of the protein solution can be either higher or lower than the absorption of water. Both scenarios have been experimentally observed in the THz window of radiation.

Dipolar response of hydrated proteins.

PubMed

Matyushov, Dmitry V

2012-02-28

The paper presents an analytical theory and numerical simulations of the dipolar response of hydrated proteins in solution. We calculate the effective dielectric constant representing the average dipole moment induced at the protein by a uniform external field. The dielectric constant shows a remarkable variation among the proteins, changing from 0.5 for ubiquitin to 640 for cytochrome c. The former value implies a negative dipolar susceptibility, that is a dia-electric dipolar response and negative dielectrophoresis. It means that ubiquitin, carrying an average dipole of ≃240 D, is expected to repel from the region of a stronger electric field. This outcome is the result of a negative cross-correlation between the protein and water dipoles, compensating for the positive variance of the intrinsic protein dipole in the overall dipolar susceptibility. In contrast to the neutral ubiquitin, charged proteins studied here show para-electric dipolar response and positive dielectrophoresis. The study suggests that the dipolar response of proteins in solution is strongly affected by the coupling of the protein surface charge to the hydration water. The protein-water dipolar cross-correlations are long-ranged, extending ~2 nm from the protein surface into the bulk. A similar correlation length of about 1 nm is seen for the electrostatic potential produced by the hydration water inside the protein. The analysis of numerical simulations suggests that the polarization of the protein-water interface is highly heterogeneous and does not follow the standard dielectric results for cavities carved in dielectrics. The polarization of the water shell gains in importance, relative to the intrinsic protein dipole, at high frequencies, above the protein Debye peak. The induced interfacial dipole can be either parallel or antiparallel to the protein dipole, depending on the distribution of the protein surface charge. As a result, the high-frequency absorption of the protein solution can be either higher or lower than the absorption of water. Both scenarios have been experimentally observed in the THz window of radiation.

Threshold voltage control in TmSiO/HfO2 high-k/metal gate MOSFETs

NASA Astrophysics Data System (ADS)

Dentoni Litta, E.; Hellström, P.-E.; Östling, M.

2015-06-01

High-k interfacial layers have been proposed as a way to extend the scalability of Hf-based high-k/metal gate CMOS technology, which is currently limited by strong degradations in threshold voltage control, channel mobility and device reliability when the chemical oxide (SiOx) interfacial layer is scaled below 0.4 nm. We have previously demonstrated that thulium silicate (TmSiO) is a promising candidate as a high-k interfacial layer, providing competitive advantages in terms of EOT scalability and channel mobility. In this work, the effect of the TmSiO interfacial layer on threshold voltage control is evaluated, showing that the TmSiO/HfO2 dielectric stack is compatible with threshold voltage control techniques commonly used with SiOx/HfO2 stacks. Specifically, we show that the flatband voltage can be set in the range -1 V to +0.5 V by the choice of gate metal and that the effective workfunction of the stack is properly controlled by the metal workfunction in a gate-last process flow. Compatibility with a gate-first approach is also demonstrated, showing that integration of La2O3 and Al2O3 capping layers can induce a flatband voltage shift of at least 150 mV. Finally, the effect of the annealing conditions on flatband voltage is investigated, finding that the duration of the final forming gas anneal can be used as a further process knob to tune the threshold voltage. The evaluation performed on MOS capacitors is confirmed by the fabrication of TmSiO/HfO2/TiN MOSFETs achieving near-symmetric threshold voltages at sub-nm EOT.

Modulating in vitro gastric digestion of emulsions using composite whey protein-cellulose nanocrystal interfaces.

PubMed

Sarkar, Anwesha; Zhang, Shuning; Murray, Brent; Russell, Jessica A; Boxal, Sally

2017-10-01

In this study, we designed emulsions with an oil-water interface consisting of a composite layer of whey protein isolate (WPI, 1wt%) and cellulose nanocrystals (CNCs) (1-3wt%). The hypothesis was that a secondary layer of CNCs at the WPI-stabilized oil-water interface could protect the interfacial protein layer against in vitro gastric digestion by pepsin at 37°C. A combination of transmission electron microscopy, ζ-potential measurements, interfacial shear viscosity measurements and theoretical surface coverage considerations suggested the presence of CNCs and WPI together at the O/W interface, owing to the electrostatic attraction between complementarily charged WPI and CNCs at pH 3. Microstructural analysis and droplet sizing revealed that the presence of CNCs increased the resistance of the interfacial protein film to rupture by pepsin, thus inhibiting droplet coalescence in the gastric phase, which occurs rapidly in an emulsion stabilized by WPI alone. It appeared that there was an optimum concentration of CNCs at the interface for such barrier effects. Sodium dodecyl sulphate polyacrylamide gel electrophoresis (SDS-PAGE) results further confirmed that the presence of 3wt% of CNCs reduced the rate and extent of proteolysis of protein at the interface. Besides, evidence of adsorption of CNCs to the protein-coated droplets to form more rigid layers, there is also the possibility that network formation by the CNCs in the bulk (continuous) phase reduced the kinetics of proteolysis. Nevertheless, structuring emulsions with mixed protein-particle layers could be an effective strategy to tune and control interfacial barrier properties during gastric passage of emulsions. Copyright © 2017 Elsevier B.V. All rights reserved.

Nonlinear Convective Flows in a Laterally Heated Two-Layer System with a Temperature-Dependent Heat Release/Consumption at the Interface

NASA Astrophysics Data System (ADS)

Simanovskii, Ilya; Viviani, Antonio; Dubois, Frank; Queeckers, Patrick

2018-01-01

Nonlinear convective flows developed under the joint action of buoyant and thermocapillary effects in a laterally heated two-layer system filling the closed cavity, have been investigated. The influence of a temperature-dependent interfacial heat release/consumption on nonlinear steady and oscillatory regimes, has been studied. It is shown that sufficiently strong temperature dependence of interfacial heat sinks and heat sources can change the sequence of bifurcations and lead to the development of specific oscillatory regimes in the system.

Effect of N2 annealing on AlZrO oxide

NASA Astrophysics Data System (ADS)

Pétry, J.; Richard, O.; Vandervorst, W.; Conard, T.; Chen, J.; Cosnier, V.

2003-07-01

In the path to the introduction of high-k dielectric into integrated circuit components, a large number of challenges has to be solved. Subsequent to the film deposition, the high-k film is exposed to additional high-temperature anneals for polycrystalline Si activation but also to improve its own electrical properties. Hence, concerns can be raised regarding the thermal stability of these stacks upon annealing. In this study, we investigated the effect of N2 annealing (700 to 900 °C) of atomic layer chemical vapor deposition AlZrO layers using x-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (TOFSIMS), transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. The effect of the Si surface preparation [H-Si, 0.5 nm rapid thermal oxide (RTO), Al2O3] on the modification of the high-k oxide and the interfacial layer upon annealing was also analyzed. Compositional changes can be observed for all temperature and surface preparations. In particular, we observe a segregation of Al(oxide) toward the surface of the mixed oxide. In addition, an increase of the Si concentration in the high-k film itself can be seen with a diffusion profile extending toward the surface of the film. On the other hand, the modification of the interfacial layer is strongly dependent on the system considered. In the case of mixed oxide grown on 0.5 nm RTO, no differences are observed between the as-deposited layer and the layer annealed at 700 °C. At 800 °C, a radical change occurs: The initial RTO layer seems to be converted into a mixed layer composed of the initial SiO2 and Al2O3 coming from the mixed oxide, however without forming an Al-silicate layer. A similar situation is found for anneals at 900 °C, as well. When grown on 1.5 nm Al2O3 on 0.5 nm RTO, the only difference with the previous system is the observation of an Al-silicate fraction in the interfacial layer for the as-deposited and 700 °C annealed samples, which disappears at higher temperatures. Finally, considering layers deposited on a H-Si surface, we observe a slight increase of the interfacial thickness after annealing at 700 °C and no further changes for a higher annealing temperature.

Interfacial concentrations of chloride and bromide in zwitterionic micelles with opposite dipoles: experimental determination by chemical trapping and a theoretical description.

PubMed

de Souza, Tereza Pereira; Chaimovich, Hernan; Fahr, Alfred; Schweitzer, Bianca; Agostinho Neto, Augusto; Cuccovia, Iolanda Midea

2012-04-01

Interfacial concentrations of chloride and bromide ions, with Li(+), Na(+), K(+), Rb(+), Cs(+), trimethylammonium (TMA(+)), Ca(2+), and Mg(2+) as counterions, were determined by chemical trapping in micelles formed by two zwitterionic surfactants, namely N-hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (HPS) and hexadecylphosphorylcholine (HDPC) micelles. Appropriate standard curves for the chemical trapping method were obtained by measuring the product yields of chloride and bromide salts with 2,4,6-trimethyl-benzenediazonium (BF(4)) in the presence of low molecular analogs (N,N,N-trimethyl-propane sulfonate and methyl-phosphorylcholine) of the employed surfactants. The experimentally determined values for the local Br(-) (Cl(-)) concentrations were modeled by fully integrated non-linear Poisson Boltzmann equations. The best fits to all experimental data were obtained by considering that ions at the interface are not fixed at an adsorption site but are free to move in the interfacial plane. In addition, the calculation of ion distribution allowed the estimation of the degree of ion coverage by using standard chemical potential differences accounting for ion specificity. Copyright © 2012 Elsevier Inc. All rights reserved.

High work-function hole transport layers by self-assembly using a fluorinated additive

DOE PAGES

Mauger, Scott A.; Li, Jun; Özmen, Özge Tüzün; ...

2013-10-30

The hole transport polymer poly(3,4-ethylenedioxythiophene):poly(4-styrenesulfonate) (PEDOT:PSS) derives many of its favorable properties from a PSS-rich interfacial layer that forms spontaneously during coating. Since PEDOT:PSS is only usable as a blend it is not possible to study PEDOT:PSS without this interfacial layer. Through the use of the self-doped polymer sulfonated poly(thiophene-3-[2-(2-methoxyethoxy) ethoxy]-2,5-diyl) (S-P3MEET) and a polyfluorinated ionomer (PFI) it is possible to compare transparent conducting organic films with and without interfacial layers and to understand their function. Using neutron reflectometry, we show that PFI preferentially segregates at the top surface of the film during coating and forms a thermally stable surfacemore » layer. Because of this distribution we find that even small amounts of PFI increase the electron work function of the HTL. We also find that annealing at 150°C and above reduces the work function compared to samples heated at lower temperatures. Using near edge x-ray absorption fine structure spectroscopy and gas chromatography we show that this reduction in work function is due to S-P3MEET being doped by PFI. Organic photovoltaic devices with S-P3MEET/PFI hole transport layers yield higher power conversion efficiency than devices with pure S-P3MEET or PEDOT:PSS hole transport layers. Additionally, devices with a doped interface layer of S-P3MEET/PFI show superior performance to those with un-doped S-P3MEET.« less

Efficient organic photovoltaic cells on a single layer graphene transparent conductive electrode using MoOx as an interfacial layer.

PubMed

Du, J H; Jin, H; Zhang, Z K; Zhang, D D; Jia, S; Ma, L P; Ren, W C; Cheng, H M; Burn, P L

2017-01-07

The large surface roughness, low work function and high cost of transparent electrodes using multilayer graphene films can limit their application in organic photovoltaic (OPV) cells. Here, we develop single layer graphene (SLG) films as transparent anodes for OPV cells that contain light-absorbing layers comprised of the evaporable molecular organic semiconductor materials, zinc phthalocyanine (ZnPc)/fullerene (C60), as well as a molybdenum oxide (MoO x ) interfacial layer. In addition to an increase in the optical transmittance, the SLG anodes had a significant decrease in surface roughness compared to two and four layer graphene (TLG and FLG) anodes fabricated by multiple transfer and stacking of SLGs. Importantly, the introduction of a MoO x interfacial layer not only reduced the energy barrier between the graphene anode and the active layer, but also decreased the resistance of the SLG by nearly ten times. The OPV cells with the structure of polyethylene terephthalate/SLG/MoO x /CuI/ZnPc/C60/bathocuproine/Al were flexible, and had a power conversion efficiency of up to 0.84%, which was only 17.6% lower than the devices with an equivalent structure but prepared on commercial indium tin oxide anodes. Furthermore, the devices with the SLG anode were 50% and 86.7% higher in efficiency than the cells with the TLG and FLG anodes. These results show the potential of SLG electrodes for flexible and wearable OPV cells as well as other organic optoelectronic devices.

Electron affinity of cubic boron nitride terminated with vanadium oxide

NASA Astrophysics Data System (ADS)

Yang, Yu; Sun, Tianyin; Shammas, Joseph; Kaur, Manpuneet; Hao, Mei; Nemanich, Robert J.

2015-10-01

A thermally stable negative electron affinity (NEA) for a cubic boron nitride (c-BN) surface with vanadium-oxide-termination is achieved, and its electronic structure was analyzed with in-situ photoelectron spectroscopy. The c-BN films were prepared by electron cyclotron resonance plasma-enhanced chemical vapor deposition employing BF3 and N2 as precursors. Vanadium layers of ˜0.1 and 0.5 nm thickness were deposited on the c-BN surface in an electron beam deposition system. Oxidation of the metal layer was achieved by an oxygen plasma treatment. After 650 °C thermal annealing, the vanadium oxide on the c-BN surface was determined to be VO2, and the surfaces were found to be thermally stable, exhibiting an NEA. In comparison, the oxygen-terminated c-BN surface, where B2O3 was detected, showed a positive electron affinity of ˜1.2 eV. The B2O3 evidently acts as a negatively charged layer introducing a surface dipole directed into the c-BN. Through the interaction of VO2 with the B2O3 layer, a B-O-V layer structure would contribute a dipole between the O and V layers with the positive side facing vacuum. The lower enthalpy of formation for B2O3 is favorable for the formation of the B-O-V layer structure, which provides a thermally stable surface dipole and an NEA surface.

Interfacial elastic relaxation during the ejection of bi-layered tablets.

PubMed

Anuar, M S; Briscoe, B J

2010-03-15

The predilection of a bi-layered tablet to fail in the interface region after its initial formation in the compaction process reduces its practicality as a choice for controlled release solid drug delivery system. Hence, a fundamental appreciation of the governing mechanism that causes the weakening of the interfacial bonds within the bi-layered tablet is crucial in order to improve the overall bi-layered tablet mechanical integrity. This work has shown that the occurrence of the elastic relaxation in the interface region during the ejection stage of the compaction process decreases with the increase in the bi-layered tablet interface strength. This is believed to be due to the increase in the plastic bonding in the interface region. The tablet diametrical elastic relaxation affects the tablet height elastic relaxation, where the impediment of the tablet height expansion is observed when the interface region experiences a diametrical expansion. 2009 Elsevier B.V. All rights reserved.

Ferromagnetic resonance investigation in as-prepared NiFe/FeMn/NiFe trilayer

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

Yuan, S. J.; Xu, K.; Yu, L. M.

2007-06-01

NiFe/FeMn/NiFe trilayer prepared by dc magnetron sputtering was systematically investigated by ferromagnetic resonance technique (FMR) at room temperature. For NiFe/FeMn/NiFe trilayer, there are two distinct resonance peaks both in in-plane and out-of-plane FMR spectra, which are attributed to the two NiFe layers, respectively. The isotropic in-plane resonance field shift is negative for the bottom NiFe layer, while positive for the top NiFe layer. And, such phenomena result from the negative interfacial perpendicular anisotropy at the bottom NiFe/FeMn interface and positive interfacial perpendicular anisotropy at the top FeMn/NiFe interface. The linewidth of the bottom NiFe layer is larger than that ofmore » the top NiFe layer, which might be related to the greater exchange coupling at the bottom NiFe/FeMn interface.« less

Coupled-cluster sum-frequency generation nonlinear susceptibilities of methyl (CH3) and methylene (CH2) groups.

PubMed

Tetsassi Feugmo, Conrard Giresse; Liégeois, Vincent; Champagne, Benoît

2017-11-15

The first vibrational sum frequency generation (SFG) spectra based on molecular properties calculated at the coupled cluster singles and doubles (CCSD) level of approximation have been simulated for interfacial model alkyl chains, providing benchmark data for comparisons with approximate methods, including density functional theory (DFT). The approach proceeds in three steps. In the first two steps, the molecular spectral properties are determined: the vibrational normal modes and frequencies and then the derivatives of the dipole moment and of the polarizability with respect to the normal coordinates. These derivatives are evaluated with a numerical differentiation approach, of which the accuracy was monitored using Romberg's procedure. Then, in the last step, a three-layer model is employed to evaluate the macroscopic second-order nonlinear optical responses and thereby the simulated SFG spectra of the alkyl interface. Results emphasize the following facts: (i) the dipole and polarizability derivatives calculated at the DFT level with the B3LYP exchange-correlation functional can differ, with respect to CCSD, by as much as ±10 to 20% and ±20 to 50% for the CH 3 and CH 2 vibrations, respectively; (ii) these differences are enhanced when considering the SFG intensities as well as their variations as a function of the experimental configuration (ppp versus ssp) and as a function of the tilt and rotation angles, defining the orientation of the alkyl chain at the interface; (iii) these differences originate from both the vibrational normal coordinates and the Cartesian derivatives of the dipole moment and polarizability; (iv) freezing the successive fragments of the alkyl chain strongly modifies the SFG spectrum and enables highlighting the delocalization effects between the terminal CH 3 group and its neighboring CH 2 units; and finally (v) going from the free chain to the free methyl model, and further to C 3v constraints on leads to large variations of two ratios that are frequently used to probe the molecular orientation at the interface, the (r + r)/r + ratio for both antisymmetric and symmetric CH 3 vibrations and the I ppp /I ssp ratio.

Tuning back contact property via artificial interface dipoles in Si/organic hybrid solar cells

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

Wang, Dan; Department of Physics and Institute of Solid-state electronics physical, Ningbo University, Ningbo 315211; Sheng, Jiang, E-mail: shengjiang@nimte.ac.cn

2016-07-25

Back contact property plays a key role in the charge collection efficiency of c-Si/poly(3,4-ethylthiophene):poly(styrenesulfonate) hybrid solar cells (Si-HSCs), as an alternative for the high-efficiency and low-cost photovoltaic devices. In this letter, we utilize the water soluble poly (ethylene oxide) (PEO) to modify the Al/Si interface to be an Ohmic contact via interface dipole tuning, decreasing the work function of the Al film. This Ohmic contact improves the electron collection efficiency of the rear electrode, increasing the short circuit current density (J{sub sc}). Furthermore, the interface dipoles make the band bending downward to increase the total barrier height of built-in electricmore » field of the solar cell, enhancing the open circuit voltage (V{sub oc}). The PEO solar cell exhibits an excellent performance, 12.29% power conversion efficiency, a 25.28% increase from the reference solar cell without a PEO interlayer. The simple and water soluble method as a promising alternative is used to develop the interfacial contact quality of the rear electrode for the high photovoltaic performance of Si-HSCs.« less

Impact of bulk and surface properties of some biocompatible hydrophobic polymers on the stability of methylene chloride-in-water mini-emulsions used to prepare nanoparticles by emulsification-solvent evaporation.

PubMed

Babak, Valery G; Baros, Francis; Boulanouar, Omar; Boury, Frank; Fromm, Michel; Kildeeva, Nathalie R; Ubrich, Nathalie; Maincent, Philippe

2007-10-01

The emulsifying and stabilizing ability of several hydrophobic (insoluble in water and soluble in volatile organic solvents) polymers, such as Eudragit RL, Eudragit RS, PLGA, PCL, and their mixtures, with regard to the methylene chloride (MC)-in-water mini-emulsions, has been compared to the viscosity of MC solutions and to the properties of adsorption and spread monolayers of these polymers. Eudragits RS and RL contain approximately 2.5 and approximately 5 mol% of pendent cationic trimethylammonium (TMA) groups per approximately 164 g/mol segments, whereas PLGA and PCL contain 1 and 2 polar carbonyl groups per 130 and 114 g/mol, respectively. The electrostatic attraction between the dipoles, formed by TMA groups and the condensed counter ions in the MC solutions, leads to the contraction of macromolecular coils of Eudragits, whereas the PLGA and PCL macromolecules, interacting by low polar carbonyl groups (with dipole moment mu = 2.7 D) retain more extended conformation in MC. This explains why the characteristic viscosities [eta] of MC solutions are much lower for the former polymers ( approximately 0.1 dL/g) with regard to PLGA and PCL solutions whose [eta] is equal to 0.3 and 0.6 dL/g, respectively. The ionization of TMA groups in contact with the water phase leads to the irreversible adsorption of Eudragits at the MC/water interface and to high decrease of the interfacial tension gamma (down to 4 mN/m for the 5% MC solutions). Whereas PLGA and PCL possessing low polar carbonyl groups adsorb poorly at the MC/water interface exhibiting gamma congruent with 28 mN/m. Higher stability of spread monolayers of Eudragits (pi* approximately 40 mN/m) with regard to PLGA and PCL (pi* < 20 mN/m) correlates well with higher interfacial activity of the former with regard to the later. The higher surface potential DeltaV of Eudragits (0.9 V) with regard to PLGA (0.3 V) and PCL (0.4V) is explained by the formation of electric double layer (DL) by the former, whereas the later contribute to the DeltaV only by cumulative dipole moments of carbonyl groups. The experimental values of surface potentials correlate well with the Gouy-Chapman model of the DL and the Helmholtz model of the monolayer. The ensemble of experimental results leads to the conclusion that higher emulsifying and stabilizing ability of Eudragits with regard to PLGA and PCL is due to higher adsorption activity of the former which form the corona of polymeric chains with ionized TMA groups around the droplets. It can be postulated that Eudragit polymers have good surface active properties which may allow manufacturing of biocompatible nanoparticles by emulsification-solvent evaporation method without surfactants.

Numerical evaluation of electromagnetic fields due to dipole antennas in the presence of stratified media

NASA Technical Reports Server (NTRS)

Tsang, L.; Brown, R.; Kong, J. A.; Simmons, G.

1974-01-01

Two numerical methods are used to evaluate the integrals that express the em fields due to dipole antennas radiating in the presence of a stratified medium. The first method is a direct integration by means of Simpson's rule. The second method is indirect and approximates the kernel of the integral by means of the fast Fourier transform. In contrast to previous analytical methods that applied only to two-layer cases the numerical methods can be used for any arbitrary number of layers with general properties.

Nucleation processes of nanobubbles at a solid/water interface

NASA Astrophysics Data System (ADS)

Fang, Chung-Kai; Ko, Hsien-Chen; Yang, Chih-Wen; Lu, Yi-Hsien; Hwang, Ing-Shouh

2016-04-01

Experimental investigations of hydrophobic/water interfaces often return controversial results, possibly due to the unknown role of gas accumulation at the interfaces. Here, during advanced atomic force microscopy of the initial evolution of gas-containing structures at a highly ordered pyrolytic graphite/water interface, a fluid phase first appeared as a circular wetting layer ~0.3 nm in thickness and was later transformed into a cap-shaped nanostructure (an interfacial nanobubble). Two-dimensional ordered domains were nucleated and grew over time outside or at the perimeter of the fluid regions, eventually confining growth of the fluid regions to the vertical direction. We determined that interfacial nanobubbles and fluid layers have very similar mechanical properties, suggesting low interfacial tension with water and a liquid-like nature, explaining their high stability and their roles in boundary slip and bubble nucleation. These ordered domains may be the interfacial hydrophilic gas hydrates and/or the long-sought chemical surface heterogeneities responsible for contact line pinning and contact angle hysteresis. The gradual nucleation and growth of hydrophilic ordered domains renders the original homogeneous hydrophobic/water interface more heterogeneous over time, which would have great consequence for interfacial properties that affect diverse phenomena, including interactions in water, chemical reactions, and the self-assembly and function of biological molecules.

Effect of MnO content on the interfacial property of mold flux and steel

NASA Astrophysics Data System (ADS)

Wang, Wanlin; Li, Jingwen; Zhou, Lejun; Yang, Jian

2016-07-01

The interfacial property between liquid mold flux and steel has significant impact on the quality of casting slab, and this property is mainly determined by the chemical composition of mold flux and the reaction between the flux and steel. The effect of MnO content on the contact angle and interfacial tension between liquid mold flux and ultra-low carbon steel was investigated by sessile drop method in this article, and the results suggested that both the contact angle and interfacial tension decreased with the increase of MnO content in the mold flux. The increase of Si and Mn and the reduction of Al and Ti in the interaction layer were caused by the chemical reactions occurred in the vicinity of interface between mold flux and steel substrate. Besides, the thickness of the interaction layer increased from 4 μm to 7 μm, then to 9 μm, 11 μm and 15 μm when the MnO content was added from 1 wt% to 3 wt%, then to 5 wt%, 7 wt%, and 9 wt% due to the fact that MnO can simplify the polymerized structure of the melt and improve the penetrability of molten mold flux to make the interfacial reaction easier.

A Synopsis of Interfacial Phenomena in Lithium-Based Polymer Electrolyte Electrochemical Cells

NASA Technical Reports Server (NTRS)

Baldwin, Richard S.; Bennett, William R.

2007-01-01

The interfacial regions between electrode materials, electrolytes and other cell components play key roles in the overall performance of lithium-based batteries. For cell chemistries employing lithium metal, lithium alloy or carbonaceous materials (i.e., lithium-ion cells) as anode materials, a "solid electrolyte interphase" (SEI) layer forms at the anode/electrolyte interface, and the properties of this "passivating" layer significantly affect the practical cell/battery quality and performance. A thin, ionically-conducting SEI on the electrode surface can beneficially reduce or eliminate undesirable side reactions between the electrode and the electrolyte, which can result in a degradation in cell performance. The properties and phenomena attributable to the interfacial regions existing at both anode and cathode surfaces can be characterized to a large extent by electrochemical impedance spectroscopy (EIS) and related techniques. The intention of the review herewith is to support the future development of lithium-based polymer electrolytes by providing a synopsis of interfacial phenomena that is associated with cell chemistries employing either lithium metal or carbonaceous "composite" electrode structures which are interfaced with polymer electrolytes (i.e., "solvent-free" as well as "plasticized" polymer-binary salt complexes and single ion-conducting polyelectrolytes). Potential approaches to overcoming poor cell performance attributable to interfacial effects are discussed.

Interfacial reaction and microstructure between the Sn3Ag0.5Cu solder and Cu-Co dual-phase substrate

NASA Astrophysics Data System (ADS)

Li, Chao; Hu, Xiaowu; Jiang, Xiongxin; Li, Yulong

2018-07-01

In this study, interfacial reactions and microstructures of the Sn3Ag0.5Cu (SAC305)/Cu- xCo ( x = 0, 30 and 50 wt%) systems were investigated during reflowing at 290 °C and solid-state aging at 150 °C for various time. The effects of different contents of Co in substrate on interfacial reaction in SAC305/Cu- xCo system were discussed. It was found that the addition of Co into pure copper substrate to achieve alloying would effectively inhibit the growth of IMC layers. Comparison among the thickness of the intermetallic compound (IMC) in three kinds of SAC305/Cu-Co systems indicated that the IMC layer of SAC305/Cu joint was thicker than that of the other two types of solder joints. The composition of the SAC305/Cu IMC layers was Cu6Sn5 and Cu3Sn. Three kinds of reaction phases (Cu,Co)6Sn5, (Cu,Co)Sn2 and (Cu,Co)3Sn were found at the interfaces of the SAC305/Cu-30Co and SAC305/Cu-50Co joints. Remarkably the (Cu,Co)Sn2 phase was found adjacent to the Co-rich phase after soldering and eliminated after the aging treatment. While the (Cu,Co)3Sn phase accumulated increasingly adjacent to the substrate with the increased aging time. The results suggested that the Co content increased from 30 to 50 wt% in substrate lead to significant restraint of the growth of interfacial IMC. In addition, the thickness of the interfacial IMC layer was linear with the square root of the aging time during the aging process. The reaction rate between Sn atoms in solder and Cu, Co atoms in substrate was quite different, which lead to the fact that the interface of SAC305/Cu-Co is uneven on the side of substrate after reflowing and aging.

Interfacial rheology of surface-active biopolymers: Acacia senegal gum versus hydrophobically modified starch.

PubMed

Erni, Philipp; Windhab, Erich J; Gunde, Rok; Graber, Muriel; Pfister, Bruno; Parker, Alan; Fischer, Peter

2007-11-01

Acacia gum is a hybrid polyelectrolyte containing both protein and polysaccharide subunits. We study the interfacial rheology of its adsorption layers at the oil/water interface and compare it with adsorbed layers of hydrophobically modified starch, which for economic and political reasons is often used as a substitute for Acacia gum in technological applications. Both the shear and the dilatational rheological responses of the interfaces are considered. In dilatational experiments, the viscoelastic response of the starch derivative is just slightly weaker than that for Acacia gum, whereas we found pronounced differences in shear flow: The interfaces covered with the plant gum flow like a rigid, solidlike material with large storage moduli and a linear viscoelastic regime limited to small shear deformations, above which we observe apparent yielding behavior. In contrast, the films formed by hydrophobically modified starch are predominantly viscous, and the shear moduli are only weakly dependent on the deformation. Concerning their most important technological use as emulsion stabilizers, the dynamic interfacial responses imply not only distinct interfacial dynamics but also different stabilizing mechanisms for these two biopolymers.

Interfacial Symmetry Control of Emergent Ferromagnetism

NASA Astrophysics Data System (ADS)

Grutter, Alexander; Borchers, Julie; Kirby, Brian; He, Chunyong; Arenholz, Elke; Vailionis, Arturas; Flint, Charles; Suzuki, Yuri

Atomically precise complex oxide heterostructures provide model systems for the discovery of new emergent phenomena since their magnetism, structure and electronic properties are strongly coupled. Octahedral tilts and rotations have been shown to alter the magnetic properties of complex oxide heterostructures, but typically induce small, gradual magnetic changes. Here, we demonstrate sharp switching between ferromagnetic and antiferromagnetic order at the emergent ferromagnetic interfaces of CaRuO3/CaMnO3 superlattices. Through synchrotron X-ray diffraction and neutron reflectometry, we show that octahedral distortions in superlattices with an odd number of CaMnO3 unit cells in each layer are symmetry mismatched across the interface. In this case, the rotation symmetry switches across the interface, reducing orbital overlap, suppressing charge transfer from Ru to Mn, and disrupting the interfacial double exchange. This disruption switches half of the interfaces from ferromagnetic to antiferromagnetic and lowers the saturation magnetic of the superlattice from 1.0 to 0.5 μB/interfacial Mn. By targeting a purely interfacial emergent magnetic system, we achieve drastic alterations to the magnetic ground state with extremely small changes in layer thickness.

Effects of post-reflow cooling rate and thermal aging on growth behavior of interfacial intermetallic compound between SAC305 solder and Cu substrate

NASA Astrophysics Data System (ADS)

Hu, Xiaowu; Xu, Tao; Jiang, Xiongxin; Li, Yulong; Liu, Yi; Min, Zhixian

2016-04-01

The interfacial reactions between Cu and Sn3Ag0.5Cu (SAC305) solder reflowed under various cooling rates were investigated. It is found that the cooling rate is an important parameter in solder reflow process because it influences not only microstructure of solder alloy but also the morphology and growth of intermetallic compounds (IMCs) formed between solder and Cu substrate. The experimental results indicate that only scallop-like Cu6Sn5 IMC layer is observed between solder and Cu substrate in case of water cooling and air cooling, while bilayer composed of scallop-like Cu6Sn5 and thin layer-like Cu3Sn is detected under furnace cooling due to sufficient reaction time to form Cu3Sn between Cu6Sn5 IMC and Cu substrate which resulted from slow cooling rate. Samples with different reflow cooling rates were further thermal-aged at 423 K. And it is found that the thickness of IMC increases linearly with square root of aging time. The growth constants of interfacial IMC layer during aging were obtained and compared for different cooling rates, indicating that the IMC layer thickness increased faster in samples under low cooling rate than in the high cooling rate under the same aging condition. The long prismatic grains were formed on the existing interfacial Cu6Sn5 grains to extrude deeply into solder matrix with lower cooling rate and long-term aging, and the Cu6Sn5 grains coarsened linearly with cubic root of aging time.

Evidences for vertical charge dipole formation in charge-trapping memories and its impact on reliability

NASA Astrophysics Data System (ADS)

Padovani, Andrea; Arreghini, Antonio; Vandelli, Luca; Larcher, Luca; bosch, Geert Van den; Houdt, Jan Van

2012-07-01

We demonstrate the formation of a vertical charge dipole in the nitride layer of TaN/Al2O3/Si3N4/SiO2/Si memories and use dedicated experiments and device simulations to investigate its dependence on program and erase conditions. We show that the polarity of the dipole depends on the program/erase operation sequence and demonstrate that it is at the origin of the charge losses observed during retention. This dipole severely affects the retention of mildly programmed and erased states, representing a serious reliability concern especially for multi-level applications.

Catalyst, method of making, and reactions using the catalyst

DOEpatents

Tonkovich, Anna Lee Y [Pasco, WA; Wang, Yong [Richland, WA; Gao, Yufei [Kennewick, WA

2009-03-03

The present invention includes a catalyst having a layered structure with, (1) a porous support, (2) a buffer layer, (3) an interfacial layer, and optionally (4) a catalyst layer. The invention also provides a process in which a reactant is converted to a product by passing through a reaction chamber containing the catalyst.

Catalyst, method of making, and reactions using the catalyst

DOEpatents

Tonkovich, Anna Lee Y [Pasco, WA; Wang, Yong [Richland, WA; Gao, Yufei [Kennewick, WA

2002-08-27

The present invention includes a catalyst having a layered structure with, (1) a porous support, (2) a buffer layer, (3) an interfacial layer, and optionally (4) a catalyst layer. The invention also provides a process in which a reactant is converted to a product by passing through a reaction chamber containing the catalyst.

Catalyst, Method Of Making, And Reactions Using The Catalyst

DOEpatents

Tonkovich, Anna Lee Y.; Wang, Yong; Gao, Yufei

2004-07-13

The present invention includes a catalyst having a layered structure with, (1) a porous support, (2) a buffer layer, (3) an interfacial layer, and optionally (4) a catalyst layer. The invention also provides a process in which a reactant is converted to a product by passing through a reaction chamber containing the catalyst.

Cooptimization of Adhesion and Power Conversion Efficiency of Organic Solar Cells by Controlling Surface Energy of Buffer Layers.

PubMed

Lee, Inhwa; Noh, Jonghyeon; Lee, Jung-Yong; Kim, Taek-Soo

2017-10-25

Here, we demonstrate the cooptimization of the interfacial fracture energy and power conversion efficiency (PCE) of poly[N-9'-heptadecanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT)-based organic solar cells (OSCs) by surface treatments of the buffer layer. The investigated surface treatments of the buffer layer simultaneously changed the crack path and interfacial fracture energy of OSCs under mechanical stress and the work function of the buffer layer. To investigate the effects of surface treatments, the work of adhesion values were calculated and matched with the experimental results based on the Owens-Wendt model. Subsequently, we fabricated OSCs on surface-treated buffer layers. In particular, ZnO layers treated with poly[(9,9-bis(3'-(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)] (PFN) simultaneously satisfied the high mechanical reliability and PCE of OSCs by achieving high work of adhesion and optimized work function.

Enhanced interfacial electron transfer of inverted perovskite solar cells by introduction of CoSe into the electron-transporting-layer

NASA Astrophysics Data System (ADS)

Chen, Shanshan; Yang, Songwang; Sun, Hong; Zhang, Lu; Peng, Jiajun; Liang, Ziqi; Wang, Zhong-Sheng

2017-06-01

To improve the electron transfer at the interface between the perovskite film and the electron-transporting-material (ETM) layer, CoSe doped [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is employed as the ETM layer for the inverted planar perovskite solar cell with NiO as the hole-transporting-material layer. Introduction of CoSe (5.8 wt%) into the PCBM layer improves the conductivity of the ETM layer and decreases the photoluminescence intensity, thus enhancing the interfacial electron extraction and reducing the electron transfer resistance at the perovskite/ETM interface. As a consequence, the power conversion efficiency is enhanced from 11.43% to 14.91% by 30% due to the noted increases in short-circuit current density from 17.95 mA cm-2 to 19.85 mA cm-2 and fill factor from 0.60 to 0.70. This work provides a new strategy to improve the performance of inverted perovskite solar cells.

Mechanically Enhanced Liquid Interfaces at Human Body Temperature Using Thermosensitive Methylated Nanocrystalline Cellulose.

PubMed

Scheuble, N; Geue, T; Kuster, S; Adamcik, J; Mezzenga, R; Windhab, E J; Fischer, P

2016-02-09

The mechanical performance of materials at oil/water interfaces after consumption is a key factor affecting hydrophobic drug release. In this study, we methylated the surface of nanocrystalline cellulose (NCC) by mercerization and dimethyl sulfate exposure to produce thermosensitive biopolymers. These methylated NCC (metNCC) were used to investigate interfacial thermogelation at air/water and medium-chain triglyceride (MCT)/water interfaces at body temperature. In contrast to bulk fluid dynamics, elastic layers were formed at room temperature, and elasticity increased significantly at body temperature, which was measured by interfacial shear and dilatational rheology in situ. This unique phenomenon depends on solvent quality, temperature, and polymer concentration at interfaces. Thus, by adjusting the degree of hydrophobicity of metNCC, the interfacial elasticity and thermogelation of the interfaces could be varied. In general, these new materials (metNCC) formed more brittle interfacial layers compared to commercial methylcellulose (MC A15). Thermogelation of methylcellulose promotes attractive intermolecular forces, which were reflected in a change in self-assembly of metNCC at the interface. As a consequence, layer thickness and density increased as a function of temperature. These effects were measured by atomic force microscopy (AFM) images of the displaced interface and confirmed by neutron reflection. The substantial structural and mechanical change of methylcellulose interfaces at body temperature represents a controllable encapsulation parameter allowing optimization of lipid-based drug formulations.

First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries

DOE PAGES

Zhu, Yizhou; He, Xingfeng; Mo, Yifei

2015-12-11

All-solid-state Li-ion batteries based on ceramic solid electrolyte materials are a promising next-generation energy storage technology with high energy density and enhanced cycle life. The poor interfacial conductance is one of the key limitations in enabling all-solid-state Li-ion batteries. However, the origin of this poor conductance has not been understood, and there is limited knowledge about the solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries. In this paper, we performed first principles calculations to evaluate the thermodynamics of the interfaces between solid electrolyte and electrode materials and to identify the chemical and electrochemical stabilities of these interfaces. Our computation results revealmore » that many solid electrolyte–electrode interfaces have limited chemical and electrochemical stability, and that the formation of interphase layers is thermodynamically favorable at these interfaces. These formed interphase layers with different properties significantly affect the electrochemical performance of all-solid-state Li-ion batteries. The mechanisms of applying interfacial coating layers to stabilize the interface and to reduce interfacial resistance are illustrated by our computation. This study demonstrates a computational scheme to evaluate the chemical and electrochemical stability of heterogeneous solid interfaces. Finally, the enhanced understanding of the interfacial phenomena provides the strategies of interface engineering to improve performances of all-solid-state Li-ion batteries.« less

Interfacial layering and capillary roughness in immiscible liquids.

PubMed

Geysermans, P; Pontikis, V

2010-08-21

The capillary roughness and the atomic density profiles of extended interfaces between immiscible liquids are determined as a function of the interface area by using molecular dynamics and Lennard-Jones (12-6) potentials. We found that with increasing area, the interface roughness diverges logarithmically, thus fitting the theoretical mean-field prediction. In systems small enough for the interfacial roughness not to blur the structural details, atomic density profiles across the fluid interface are layered with correlation length in the range of molecular correlations in liquids. On increasing the system size, the amplitude of the thermally excited position fluctuations of the interface increases, thus causing layering to rapidly vanish, if density profiles are computed without special care. In this work, we present and validate a simple method, operating in the direct space, for extracting from molecular dynamics trajectories the "intrinsic" structure of a fluid interface that is the local density profile of the interface cleaned from capillary wave effects. Estimated values of interfacial properties such as the tension, the intrinsic width, and the lower wavelength limit of position fluctuations are in agreement with results collected from the literature.

Aqueous Solution-Deposited Molybdenum Oxide Films as an Anode Interfacial Layer for Organic Solar Cells.

PubMed

Yi, Qinghua; Zhai, Pengfei; Sun, Yinghui; Lou, Yanhui; Zhao, Jie; Sun, Baoquan; Patterson, Brian; Luo, Hongmei; Zhang, Wenrui; Jiao, Liang; Wang, Haiyan; Zou, Guifu

2015-08-26

In this study, we report the growth of molybdenum oxide (MoOx) film by polymer-assisted deposition (PAD), an environmentally friendly strategy in an aqueous system. The MoOx film has good crystal quality and is dense and smooth. The transparency of the film is >95% in the wavelength range of 300-900 nm. The device based on P3HT:PCBM absorber material was fabricated. The solar cell with PAD-MoOx as an anode interfacial layer exhibits great performance, even better than that of a solar cell with PSS or evaporated MoOx as an anode interfacial layer. More importantly, the solar cells based on the growth of MoOx have a longer term stability than that of solar cells based on PSS. These results demonstrate the aqueous PAD technology provides an alternative strategy not only for the thin films' growth of applied materials but also for the solution processing for the low-cost fabrication of future materials to be applied in the field of solar cells.

Effects of post-deposition annealing ambient on band alignment of RF magnetron-sputtered Y2O3 film on gallium nitride

PubMed Central

2013-01-01

The effects of different post-deposition annealing ambients (oxygen, argon, forming gas (95% N2 + 5% H2), and nitrogen) on radio frequency magnetron-sputtered yttrium oxide (Y2O3) films on n-type gallium nitride (GaN) substrate were studied in this work. X-ray photoelectron spectroscopy was utilized to extract the bandgap of Y2O3 and interfacial layer as well as establishing the energy band alignment of Y2O3/interfacial layer/GaN structure. Three different structures of energy band alignment were obtained, and the change of band alignment influenced leakage current density-electrical breakdown field characteristics of the samples subjected to different post-deposition annealing ambients. Of these investigated samples, ability of the sample annealed in O2 ambient to withstand the highest electric breakdown field (approximately 6.6 MV/cm) at 10−6 A/cm2 was related to the largest conduction band offset of interfacial layer/GaN (3.77 eV) and barrier height (3.72 eV). PMID:23360596

Interfacial magnetic coupling in hetero-structure of Fe/double-perovskite NdBaMn2O6 single crystal

NASA Astrophysics Data System (ADS)

Lin, W. C.; Tsai, C. L.; Ogawa, K.; Yamada, S.; Gandhi, Ashish C.; Lin, J. G.

2018-04-01

The interfacial magnetic coupling between metallic Fe and the double-perovskite NdBaMn2O6 single crystal was investigated in the heterostructure of 4-nm Pd/10-nm Fe/NdBaMn2O6. A considerable magnetic coupling effect was observed in the temperature range coincident with the magnetic phase transition of NdBaMn2O6. When the temperature was elevated above 270 K, NdBaMn2O6 transformed from a state of antiferromagnetic fluctuating domains to a superparamagnetism-like (ferromagnetic fluctuation) state with high magnetic susceptibility. Concurrently, the interfacial magnetic coupling between the Fe layer and the NdBaMn2O6 crystal was observed, as indicated by the considerable squareness reduction and coercivity enhancement in the Fe layer. Moreover, the presence of the Fe layer changed the magnetic structure of NdBaMn2O6 from conventional 4-fold symmetry to 2-fold symmetry. These observations offer applicable insights into the mutual magnetic interaction in the heterostructures of metallic ferromagnetism/perovskite materials.

Improvement in interfacial characteristics of low-voltage carbon nanotube thin-film transistors with solution-processed boron nitride thin films

NASA Astrophysics Data System (ADS)

Jeon, Jun-Young; Ha, Tae-Jun

2017-08-01

In this article, we demonstrate the potential of solution-processed boron nitride (BN) thin films for high performance single-walled carbon nanotube thin-film transistors (SWCNT-TFTs) with low-voltage operation. The use of BN thin films between solution-processed high-k dielectric layers improved the interfacial characteristics of metal-insulator-metal devices, thereby reducing the current density by three orders of magnitude. We also investigated the origin of improved device performance in SWCNT-TFTs by employing solution-processed BN thin films as an encapsulation layer. The BN encapsulation layer improves the electrical characteristics of SWCNT-TFTs, which includes the device key metrics of linear field-effect mobility, sub-threshold swing, and threshold voltage as well as the long-term stability against the aging effect in air. Such improvements can be achieved by reduced interaction of interfacial localized states with charge carriers. We believe that this work can open up a promising route to demonstrate the potential of solution-processed BN thin films on nanoelectronics.

In Situ STEM-EELS observation of nanoscale interfacial phenomena in all-solid-state batteries

DOE PAGES

Wang, Ziying; Santhanagopalan, Dhamodaran; Zhang, Wei; ...

2016-05-03

Behaviors of functional interfaces are crucial factors in the performance and safety of energy storage and conversion devices. Indeed, solid electrode–solid electrolyte interfacial impedance is now considered the main limiting factor in all-solid-state batteries rather than low ionic conductivity of the solid electrolyte. In this paper, we present a new approach to conducting in situ scanning transmission electron microscopy (STEM) coupled with electron energy loss spectroscopy (EELS) in order to uncover the unique interfacial phenomena related to lithium ion transport and its corresponding charge transfer. Our approach allowed quantitative spectroscopic characterization of a galvanostatically biased electrochemical system under in situmore » conditions. Using a LiCoO 2/LiPON/Si thin film battery, an unexpected structurally disordered interfacial layer between LiCoO 2 cathode and LiPON electrolyte was discovered to be inherent to this interface without cycling. During in situ charging, spectroscopic characterization revealed that this interfacial layer evolved to form highly oxidized Co ions species along with lithium oxide and lithium peroxide species. These findings suggest that the mechanism of interfacial impedance at the LiCoO 2/LiPON interface is caused by chemical changes rather than space charge effects. Finally, insights gained from this technique will shed light on important challenges of interfaces in all-solid-state energy storage and conversion systems and facilitate improved engineering of devices operated far from equilibrium.« less

Roles of interfacial reaction on mechanical properties of solder interfaces

NASA Astrophysics Data System (ADS)

Liu, Pilin

This study investigated roles of interfacial reaction in fracture and fatigue of solder interconnects. The interfacial reaction phases in the as-reflowed and after aging were examined by cross-sectional transmission electron microscopy (TEM) while interfacial mechanical properties were determined from a flexural peel fracture mechanics technique. Because of their widespread uses in microelectronic packaging, SnPb solder interfaces, and Bi-containing Pb-free solder interfaces were chosen as the subjects of this study. In the interfacial reaction study, we observed a complicated micro structural evolution during solid-state aging of electroless-Ni(P)/SnPb solder interconnects. In as-reflowed condition, the interfacial reaction produced Ni3Sn 4 and P-rich layers. Following overaging, the interfacial microstructure degenerated into a complex multilayer structure consisting of multiple layers of Ni-Sn compounds and transformed Ni-P phases. In SnPb solder interfacial system, fatigue study showed that the overaging of the high P electroless Ni-P/SnPb interconnects resulted in a sharp reduction in the fatigue resistance of the interface in the high crack growth rate regime. Fracture mechanism analysis indicated that the sharp drop in fatigue resistance was triggered by the brittle fracture of the Ni3Sn2 intermetallic phase developed at the overaged interface. The fatigue behavior was strongly dependent on P concentration in electroless Ni. Kirkendall voids were found in the interfacial region after aging, but they did not cause premature fracture of the solder interfaces. In Bi-containing solder interfacial system, we found that Bi segregated to the Cu-intermetallic interface during aging in SnBi/Cu interconnect. This caused serious embrittlement of Sn-Bi/Cu interface. Further aging induced numerous voids along the Cu3Sn/Cu interface. These interfacial voids were different from Kirkendall voids. Their formation was explained on basis of vacancy condensation at the interface as the Bi segregants reduced the number of effective Cu vacancy sink sites and enhanced void nucleation at the interface. The Bi segregation was avoided by replacing the Cu metallization with Ni. It was found that Bi developed a concentration gradient in the Ni 3Sn4 during interfacial reaction, with the Bi concentration falling off to zero as the Ni/IMC interface was approached. Therefore, the inhibition of Bi segregation by Ni was due to the inability of Bi to reach Ni/IMC interface.

Study of Sn and SnAgCu Solders Wetting Reaction on Ni/Pd/Au Substrates

NASA Astrophysics Data System (ADS)

Liu, C. Y.; Wei, Y. S.; Lin, E. J.; Hsu, Y. C.; Tang, Y. K.

2016-12-01

Wetting reactions of pure Sn and Sn-Ag-Cu solder balls on Au(100 Å and 1000 Å)/Pd(500 Å)/Ni substrates were investigated. The (Au, Pd)Sn4 phase formed in the initial interfacial reaction between pure Sn and Au(100 Å and 1000 Å)/Pd(500 Å)/Ni substrates. Then, the initially formed (Au, Pd)Sn4 compound layer either dissolved or spalled into the molten Sn solder with 3 s of reflowing. The exposed Ni under-layer reacted with Sn solder and formed an interfacial Ni3Sn4 compound. We did not observe spalling compound in the Sn-Ag-Cu case, either on the thin Au (100 Å) or the thick Au (1000 Å) substrates. This implies that the Cu content in the Sn-Ag-Cu solder can efficiently suppress the spalling effect and really stabilize the interfacial layer. Sn-Ag-Cu solder has a better wetting than that of the pure Sn solder, regardless of the Au thickness of the Au/Pd/Ni substrate. For both cases of pure Sn and Sn-Ag-Cu, the initial wetting (<3-s reflowing) on the thin Au (100 Å) substrate is better than that of the thick Au (1000 Å) substrate. Over 3-s reflowing, the wetting on the thicker Au layer (1000 Å) substrate becomes better than the wetting on the thinner Au layer (100 Å) substrate.

Interfacial and topological effects on the glass transition in free-standing polystyrene films

NASA Astrophysics Data System (ADS)

Lyulin, Alexey V.; Balabaev, Nikolay K.; Baljon, Arlette R. C.; Mendoza, Gerardo; Frank, Curtis W.; Yoon, Do Y.

2017-05-01

United-atom molecular-dynamics computer simulations of atactic polystyrene (PS) were performed for the bulk and free-standing films of 2 nm-20 nm thickness, for both linear and cyclic polymers comprised of 80 monomers. Simulated volumetric glass-transition temperatures (Tg) show a strong dependence on the film thickness below 10 nm. The glass-transition temperature of linear PS is 13% lower than that of the bulk for 2.5 nm-thick films, as compared to less than 1% lower for 20 nm films. Our studies reveal that the fraction of the chain-end groups is larger in the interfacial layer with its outermost region approximately 1 nm below the surface than it is in the bulk. The enhanced population of the end groups is expected to result in a more mobile interfacial layer and the consequent dependence of Tg on the film thickness. In addition, the simulations show an enrichment of backbone aliphatic carbons and concomitant deficit of phenyl aromatic carbons in the interfacial film layer. This deficit would weaken the strong phenyl-phenyl aromatic (π -π ) interactions and, hence, lead to a lower film-averaged Tg in thin films, as compared to the bulk sample. To investigate the relative importance of the two possible mechanisms (increased chain ends at the surface or weakened π -π interactions in the interfacial region), the data for linear PS are compared with those for cyclic PS. For the cyclic PS, the reduction of the glass-transition temperature is also significant in thin films, albeit not as much as for linear PS. Moreover, the deficit of phenyl carbons in the film interface is comparable to that observed for linear PS. Therefore, chain-end effects alone cannot explain the observed pronounced Tg dependence on the thickness of thin PS films; the weakened phenyl-phenyl interactions in the interfacial region seems to be an important cause as well.

Environmentally-assisted technique for transferring devices onto non-conventional substrates

DOEpatents

Lee, Chi-Hwan; Kim, Dong Rip; Zheng, Xiaolin

2016-05-10

A device fabrication method includes: (1) providing a growth substrate including an oxide layer; (2) forming a metal layer over the oxide layer; (3) forming a stack of device layers over the metal layer; (4) performing fluid-assisted interfacial debonding of the metal layer to separate the stack of device layers and the metal layer from the growth substrate; and (5) affixing the stack of device layers to a target substrate.

Micromachined quartz crystal resonator arrays for bioanalytical applications

NASA Astrophysics Data System (ADS)

Kao, Ping

This work presents the design, fabrication and investigation of high frequency quartz crystal resonator arrays and their application for analyzing interfacial layers and sensing purposes. An 8-pixel micromachined quartz crystal resonator array with a fundamental resonance frequency of ˜66 MHz has been fabricated, tested and used in this work. One dimensional model for the characterization of resonator behavior for single or multiple viscoelastic layers under liquid ambient are developed by continuum mechanics approach as well as using an equivalent electrical admittance analysis approach. The investigation of thin interfacial layer between solid (electrode) and liquid phases are reported in terms of the improved resolution of viscoelasitc characteristics of adsorbed layer arising from the use of high frequency resonators. Analyzed layers include globular proteins layer under phosphate buffer solution (PBS) with molecular weights spanning three orders of magnitude, multilayers of avidin and biotin labeled bovine albumin under PBS and diffuse double layer induced by DC bias under 0.5 M sulfuric acid solution. The second half of the dissertation focuses on biosensing applications of quartz resonator arrays. The selective functionalization of 3,3'-Dithiobis (sulfosuccinimidylpropionate) (DTSSP) by physical masking method was first used for specifically detecting avidin molecules. The selective immobilization of thiol modified single stranded DNA probes via electrochemical methods was used for the specific detection of Respiratory Syncytial Virus (RSV) G-gene. The work demonstrates that micromachined quartz crystal resonator arrays could be a powerful analytical tool of investigating interfacial region and can be readily configured as biosenors that can be used for label-free, quantitative assays using extremely small volumes of analytes.

Fast Low-Current Spin-Orbit-Torque Switching of Magnetic Tunnel Junctions through Atomic Modifications of the Free-Layer Interfaces

NASA Astrophysics Data System (ADS)

Shi, Shengjie; Ou, Yongxi; Aradhya, S. V.; Ralph, D. C.; Buhrman, R. A.

2018-01-01

Future applications of spin-orbit torque will require new mechanisms to improve the efficiency of switching nanoscale magnetic tunnel junctions (MTJs), while also controlling the magnetic dynamics to achieve fast nanosecond-scale performance with low-write-error rates. Here, we demonstrate a strategy to simultaneously enhance the interfacial magnetic anisotropy energy and suppress interfacial spin-memory loss by introducing subatomic and monatomic layers of Hf at the top and bottom interfaces of the ferromagnetic free layer of an in-plane magnetized three-terminal MTJ device. When combined with a β -W spin Hall channel that generates spin-orbit torque, the cumulative effect is a switching current density of 5.4 ×106 A /cm2 .

Coverage dependent work function of graphene on a Cu(111) substrate with intercalated alkali metals

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

Cook, Brandon G.; Russakoff, Arthur; Varga, Kalman

2015-05-26

Using first-principles calculations, it is shown that the work function of graphene on copper can be adjusted by varying the concentration of intercalated alkali metals. Using density functional theory, we calculate the modulation of work function when Li, Na, or K are intercalated between graphene and a Cu(111) surface. Furthermore, the physical origins of the change in work function are explained in terms of phenomenological models accounting for the formation and depolarization of interfacial dipoles and the shift in the Fermi-level induced via charge transfer.

The impact of electrostatic correlations on Dielectrophoresis of Non-conducting Particles

NASA Astrophysics Data System (ADS)

Alidoosti, Elaheh; Zhao, Hui

2017-11-01

The dipole moment of a charged, dielectric, spherical particle under the influence of a uniform alternating electric field is computed theoretically and numerically by solving the modified continuum Poisson-Nernst-Planck (PNP) equations accounting for ion-ion electrostatic correlations that is important at concentrated electrolytes (Phys. Rev. Lett. 106, 2011). The dependence on the frequency, zeta potential, electrostatic correlation lengths, and double layer thickness is thoroughly investigated. In the limit of thin double layers, we carry out asymptotic analysis to develop simple models which are in good agreement with the modified PNP model. Our results suggest that the electrostatic correlations have a complicated impact on the dipole moment. As the electrostatic correlations length increases, the dipole moment decreases, initially, reach a minimum, and then increases since the surface conduction first decreases and then increases due to the ion-ion correlations. The modified PNP model can improve the theoretical predictions particularly at low frequencies where the simple model can't qualitatively predict the dipole moment. This work was supported, in part, by NIH R15GM116039.

Influence of the insertion of a nano-oxide layer on the interfacial magnetism of FeMn /NiFe/Cu/NiFe spin valves

NASA Astrophysics Data System (ADS)

Tafur, Miguel; Alayo, W.; Munayco, P.; Baggio-Saitovitch, E.; Nascimento, V. P.; Alvarenga, A. D.; Brewer, W. D.

2007-05-01

We have studied the influence of an inserted nano-oxide layer (NOL) on the interfacial magnetism in spin-valve systems showing the giant magnetoresistance effect. Specifically, we performed a magnetic depth profile of these structures with and without a NOL, using the x-ray magnetic circular dichroism technique. We found that insertion of a NOL into the spin-valve structure is correlated with a stronger reduction of the magnetic moments at the ferromagnetic (FM)/NOL/FM interface in comparison with a spin valve without NOL.

Effect of interfacial interactions on the thermal conductivity and interfacial thermal conductance in tungsten–graphene layered structure

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

Jagannadham, K., E-mail: jag-kasichainula@ncsu.edu

2014-09-01

Graphene film was deposited by microwave plasma assisted deposition on polished oxygen free high conductivity copper foils. Tungsten–graphene layered film was formed by deposition of tungsten film by magnetron sputtering on the graphene covered copper foils. Tungsten film was also deposited directly on copper foil without graphene as the intermediate film. The tungsten–graphene–copper samples were heated at different temperatures up to 900 °C in argon atmosphere to form an interfacial tungsten carbide film. Tungsten film deposited on thicker graphene platelets dispersed on silicon wafer was also heated at 900 °C to identify the formation of tungsten carbide film by reaction of tungstenmore » with graphene platelets. The films were characterized by scanning electron microscopy, Raman spectroscopy, and x-ray diffraction. It was found that tungsten carbide film formed at the interface upon heating only above 650 °C. Transient thermoreflectance signal from the tungsten film surface on the samples was collected and modeled using one-dimensional heat equation. The experimental and modeled results showed that the presence of graphene at the interface reduced the cross-plane effective thermal conductivity and the interfacial thermal conductance of the layer structure. Heating at 650 and 900 °C in argon further reduced the cross-plane thermal conductivity and interface thermal conductance as a result of formation nanocrystalline tungsten carbide at the interface leading to separation and formation of voids. The present results emphasize that interfacial interactions between graphene and carbide forming bcc and hcp elements will reduce the cross-plane effective thermal conductivity in composites.« less

Modeling the thermal structure and magnetic properties of the crust of active regions with application to the Rio Grande rift

NASA Technical Reports Server (NTRS)

1982-01-01

Experiments in Curie depth estimation from long wavelength magnetic anomalies are summarized. The heart of the work is equivalent-layer-type magnetization models derived by inversion of high-elevation, long wavelength magnetic anomaly data. The methodology is described in detail in the above references. A magnetization distribution in a thin equivalent layer at the Earth's surface having maximum detail while retaining physical significance, and giving rise to a synthetic anomaly field which makes a best fit to the observed field in a least squares sense is discussed. The apparent magnetization contrast in the equivalent layer is approximated using an array of dipoles distributed in equal area at the Earth's surface. The dipoles are pointed in the direction of the main magnetic field, which carries the implicit assumption that crustal magnetization is dominantly induced or viscous. The determination of the closest possible dipole spacing giving a stable inversion to a solution having physical significance is accomplished by plotting the standard deviation of the solution parameters against their spatial separation for a series of solutions.

Surface conservation laws at microscopically diffuse interfaces.

PubMed

Chu, Kevin T; Bazant, Martin Z

2007-11-01

In studies of interfaces with dynamic chemical composition, bulk and interfacial quantities are often coupled via surface conservation laws of excess surface quantities. While this approach is easily justified for microscopically sharp interfaces, its applicability in the context of microscopically diffuse interfaces is less theoretically well-established. Furthermore, surface conservation laws (and interfacial models in general) are often derived phenomenologically rather than systematically. In this article, we first provide a mathematically rigorous justification for surface conservation laws at diffuse interfaces based on an asymptotic analysis of transport processes in the boundary layer and derive general formulae for the surface and normal fluxes that appear in surface conservation laws. Next, we use nonequilibrium thermodynamics to formulate surface conservation laws in terms of chemical potentials and provide a method for systematically deriving the structure of the interfacial layer. Finally, we derive surface conservation laws for a few examples from diffusive and electrochemical transport.

Unraveling the Mechanism of Nanoscale Mechanical Reinforcement in Glassy Polymer Nanocomposites

DOE PAGES

Cheng, Shiwang; Bocharova, Vera; Belianinov, Alex; ...

2016-05-20

The mechanical reinforcement of polymer nanocomposites (PNCs) above the glass transition temperature, T g, has been extensively researched. However, not much is known about the origin of this effect below T g. In this paper, we unravel the mechanism of PNC reinforcement within the glassy state by directly probing nanoscale mechanical properties with atomic force microscopy and macroscopic properties with Brillouin light scattering. Our results unambiguously show that the "glassy" Young's modulus in the interfacial polymer layer of PNCs is two-times higher than in the bulk polymer, which results in significant reinforcement below T g. We ascribe this phenomenon tomore » a high stretching of the chains within the interfacial layer. Since the interfacial chain packing is essentially temperature independent, these findings provide a new insight into the mechanical reinforcement of PNCs also above T g.« less

Conduction at a ferroelectric interface

DOE PAGES

Marshall, Matthew S. J.; Malashevich, Andrei; Disa, Ankit S.; ...

2014-11-05

Typical logic elements utilizing the field effect rely on the change in carrier concentration due to the field in the channel region of the device. Ferroelectric-field-effect devices provide a nonvolatile version of this effect due to the stable polarization order parameter in the ferroelectric. In this study, we describe an oxide/oxide ferroelectric heterostructure device based on (001)-oriented PbZr₀̣.₂Ti₀.₈O₃-LaNiO₃ where the dominant change in conductivity is a result of a significant mobility change in the interfacial channel region. The effect is confined to a few atomic layers at the interface and is reversible by switching the ferroelectric polarization. More interestingly, inmore » one polarization state, the field effect induces a 1.7 eV shift of the interfacial bands to create a new conducting channel in the interfacial PbO layer of the ferroelectric.« less

Incorporation of interfacial roughness into recursion matrix formalism of dynamical X-ray diffraction in multilayers and superlattices.

PubMed

Lobach, Ihar; Benediktovitch, Andrei; Ulyanenkov, Alexander

2017-06-01

Diffraction in multilayers in the presence of interfacial roughness is studied theoretically, the roughness being considered as a transition layer. Exact (within the framework of the two-beam dynamical diffraction theory) differential equations for field amplitudes in a crystalline structure with varying properties along its surface normal are obtained. An iterative scheme for approximate solution of the equations is developed. The presented approach to interfacial roughness is incorporated into the recursion matrix formalism in a way that obviates possible numerical problems. Fitting of the experimental rocking curve is performed in order to test the possibility of reconstructing the roughness value from a diffraction scan. The developed algorithm works substantially faster than the traditional approach to dealing with a transition layer (dividing it into a finite number of thin lamellae). Calculations by the proposed approach are only two to three times longer than calculations for corresponding structures with ideally sharp interfaces.

The effects of interfacial recombination and injection barrier on the electrical characteristics of perovskite solar cells

NASA Astrophysics Data System (ADS)

Shi, Lin Xing; Wang, Zi Shuai; Huang, Zengguang; Sha, Wei E. I.; Wang, Haoran; Zhou, Zhen

2018-02-01

Charge carrier recombination in the perovskite solar cells (PSCs) has a deep influence on the electrical performance, such as open circuit voltage, short circuit current, fill factor and ultimately power conversion efficiency. The impacts of injection barrier, recombination channels, doping properties of carrier transport layers and light intensity on the performance of PSCs are theoretically investigated by drift-diffusion model in this work. The results indicate that due to the injection barrier at the interfaces of perovskite and carrier transport layer, the accumulated carriers modify the electric field distribution throughout the PSCs. Thus, a zero electric field is generated at a specific applied voltage, with greatly increases the interfacial recombination, resulting in a local kink of current density-voltage (J-V) curve. This work provides an effective strategy to improve the efficiency of PSCs by pertinently reducing both the injection barrier and interfacial recombination.

Nitride passivation reduces interfacial traps in atomic-layer-deposited Al2O3/GaAs (001) metal-oxide-semiconductor capacitors using atmospheric metal-organic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Aoki, T.; Fukuhara, N.; Osada, T.; Sazawa, H.; Hata, M.; Inoue, T.

2014-07-01

Using an atmospheric metal-organic chemical vapor deposition system, we passivated GaAs with AlN prior to atomic layer deposition of Al2O3. This AlN passivation incorporated nitrogen at the Al2O3/GaAs interface, improving the capacitance-voltage (C-V) characteristics of the resultant metal-oxide-semiconductor capacitors (MOSCAPs). The C-V curves of these devices showed a remarkable reduction in the frequency dispersion of the accumulation capacitance. Using the conductance method at various temperatures, we extracted the interfacial density of states (Dit). The Dit was reduced over the entire GaAs band gap. In particular, these devices exhibited Dit around the midgap of less than 4 × 1012 cm-2eV-1, showing that AlN passivation effectively reduced interfacial traps in the MOS structure.

The effect of interlayer anion on the reactivity of Mg-Al layered double hydroxides: improving and extending the customization capacity of anionic clays.

PubMed

Rojas, Ricardo; Bruna, Felipe; de Pauli, Carlos P; Ulibarri, M Ángeles; Giacomelli, Carla E

2011-07-01

Layered double hydroxides (LDHs) reactivity and interfacial behavior are closely interconnected and control particle properties relevant to the wide range of these solids' applications. Despite their importance, their relationship has been hardly described. In this work, chloride and dodecylsulfate (DDS(-)) intercalated LDHs are studied combining experimental data (electrophoretic mobility and contact angle measurements, hydroxyl and organic compounds uptake) and a simple mathematical model that includes anion-binding and acid-base reactions. This approach evidences the anion effect on LDHs interfacial behavior, reflected in the opposite particle charge and the different surface hydrophobic/hydrophilic character. LDHs reactivity are also determined by the interlayer composition, as demonstrated by the cation uptake capability of the DDS(-) intercalated sample. Consequently, the interlayer anion modifies the LDHs interfacial properties and reactivity, which in turn extends the customization capacity of these solids. Copyright © 2011 Elsevier Inc. All rights reserved.

How Does a SILAR CdSe Film Grow? Tuning the Deposition Steps to Suppress Interfacial Charge Recombination in Solar Cells.

PubMed

Becker, Matthew A; Radich, James G; Bunker, Bruce A; Kamat, Prashant V

2014-05-01

Successive ionic layer adsorption and reaction (SILAR) is a popular method of depositing the metal chalcogenide semiconductor layer on the mesoscopic metal oxide films for designing quantum-dot-sensitized solar cells (QDSSCs) or extremely thin absorber (ETA) solar cells. While this deposition method exhibits higher loading of the light-absorbing semiconductor layer than direct adsorption of presynthesized colloidal quantum dots, the chemical identity of these nanostructures and the evolution of interfacial structure are poorly understood. We have now analyzed step-by-step SILAR deposition of CdSe films on mesoscopic TiO2 nanoparticle films using X-ray absorption near-edge structure analysis and probed the interfacial structure of these films. The film characteristics interestingly show dependence on the order in which the Cd and Se are deposited, and the CdSe-TiO2 interface is affected only during the first few cycles of deposition. Development of a SeO2 passivation layer in the SILAR-prepared films to form a TiO2/SeO2/CdSe junction facilitates an increase in photocurrents and power conversion efficiencies of quantum dot solar cells when these films are integrated as photoanodes in a photoelectrochemical solar cell.

Influence of interfacial rheology on stabilization of the tear film

NASA Astrophysics Data System (ADS)

Bhamla, M. Saad; Fuller, Gerald G.

2014-11-01

The tear film that protecting the ocular surface is a complex, thin film comprised of a collection of proteins and lipids that come together to provide a number of important functions. Of particular interest in this presentation is meibum, an insoluble layer that is spread from glands lining our eyelids. Past work has focussed on the role of this layer in reducing evaporation, although conflicting evidence on its ability to reduce evaporative loss has been published. We present here the beneficial effects that are derived through the interfacial viscoelasticity of the meibomian lipid film. This is a duplex film is comprised of a rich mixture of phospholipids, long chain fatty esters, and cholesterol esters. Using interfacial rheology measurements, meibum has been shown to be highly viscoelastic. By measuring the drainage and dewetting dynamics of thin aqueous films from hemispherical surfaces where those films are laden with insoluble layers of lipids at controlled surface pressure, we offer evidence that these layers strongly stabilize the films because of their ability to support surface shearing stresses. This alternative view of the role of meibum can help explain the origin of meibomian gland dysfunction, or dry eye disease, where improper compositions of this lipid mixture do not offer the proper mechanical resistance to breakage and dewetting of the tear film.

Growth and characterization of InSb on (1 0 0) Si for mid-infrared application

NASA Astrophysics Data System (ADS)

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt

2018-05-01

Monolithic integration of InSb on (1 0 0) Si is a practical approach to realizing on-chip mid-infrared photonic devices. An InSb layer was grown on a (1 0 0) Si substrate using an AlSb/GaSb buffer containing InSb quantum dots (QDs). The growth process for the buffer involved the growth of GaSb on Si using an interfacial misfit array, followed by InSb QDs on AlSb to decrease the density of microtwins. InSb layers were separately grown on AlSb and GaSb surfaces to compare the effect of different interfacial misfit arrays. The samples were characterized using transmission electron microscopy and X-ray diffraction to determine the structural properties of the buffer and InSb layers. The InSb on the AlSb sample exhibited higher crystal quality than the InSb on GaSb sample due to a more favorable arrangement of interfacial misfit dislocations. Hall measurements of unintentionally doped InSb layers demonstrated a higher carrier mobility in the InSb on the AlSb sample than in InSb on GaSb. Growing InSb on AlSb also improved the photoresponsivity of InSb as a photoconductor on Si.

Wetting and interfacial properties of water nanodroplets in contact with graphene and monolayer boron-nitride sheets.

PubMed

Li, Hui; Zeng, Xiao Cheng

2012-03-27

Born-Oppenheim quantum molecular dynamics (QMD) simulations are performed to investigate wetting, diffusive, and interfacial properties of water nanodroplets in contact with a graphene sheet or a monolayer boron-nitride (BN) sheet. Contact angles of the water nanodroplets on the two sheets are computed for the first time using QMD simulations. Structural and dynamic properties of the water droplets near the graphene or BN sheet are also studied to gain insights into the interfacial interaction between the water droplet and the substrate. QMD simulation results are compared with those from previous classic MD simulations and with the experimental measurements. The QMD simulations show that the graphene sheet yields a contact angle of 87°, while the monolayer BN sheet gives rise to a contact angle of 86°. Hence, like graphene, the monolayer BN sheet is also weakly hydrophobic, even though the BN bonds entail a large local dipole moment. QMD simulations also show that the interfacial water can induce net positive charges on the contacting surface of the graphene and monolayer BN sheets, and such charge induction may affect electronic structure of the contacting graphene in view that graphene is a semimetal. Contact angles of nanodroplets of water in a supercooled state on the graphene are also computed. It is found that under the supercooled condition, water nanodroplets exhibit an appreciably larger contact angle than under the ambient condition. © 2012 American Chemical Society

On the nature of the Madagascar dipoles: An analysis from Argo profiling floats and altimetry measurements

NASA Astrophysics Data System (ADS)

Aguiar-González, Borja; Ponsoni, Leandro; Ridderinkhof, Herman; de Ruijter, Will P. M.; Maas, Leo R. M.

2016-04-01

The South East Madagascar Current (SEMC) flows poleward along the eastern coast of Madagascar as a western boundary current which further south provides some of the source waters of the Agulhas Current, either directly or in the form of eddies. We investigate the region of dipole formation south of Madagascar combining vertical T/S profiles from Argo floats, altimetry measurements and an existing eddy detection algorithm. Results from our analysis show that the dipole consists of an anticyclonic intrathermocline eddy (ITE) formed on its southern flank and a cyclonic ITE formed on its northern flank. Both lobes of the dipole exhibit similar T/S properties throughout the water column, although vertically shifted within the thermocline depending on its nature: upward in a cyclonic ITE and downward in an anticyclonic ITE. A subsurface salinity maximum of about 35.5 psu characterizes the upper layers with Subtropical Surface Water (STSW). At intermediate levels, a well defined path of South Indian Central Water (SICW) extends throughout the water column up to reach a minimum in salinity of 34.5 psu, corresponding to Antarctic Intermediate Water (AAIW). Below, at deep layers, the North Atlantic Deep Water (NADW) is found. The intrathermocline nature of the Madagascar dipoles has not been previously reported and represents an important feature to be considered when assessing the heat and salt fluxes driven by eddy movement and contributing to the Agulhas Current. Unlike surface eddies, intrathermocline eddies strongly influence the intermediate/deeper layers in the oceans and, hence, may have a larger contribution in the spreading rates and pathways of water masses. Because the intrathermocline nature of eddies is invisible to altimetry measurements, these results stress the importance of combining altimetry with historical records of Argo profiles which uncover eddy dynamics below the sea surface. Lastly, we further investigate from altimetry the area of dipole formation. The main axis of the SEMC appears flanked on its northern and southern borders by a semi-isolated semicircular region where kinetic energy of the mean flow is being transfered to the eddy kinetic energy field, in this case to the dipole formation, through barotropic instabilities without the need of an evident SEMC retroflection. In this regard, future work will be addressed to account for the mechanism by which Madagascar dipoles thus generated present an intrathermocline structure.

Direct simulation of polymer drag reduction in free shear flows and vortex dipoles

NASA Technical Reports Server (NTRS)

Orlandi, P.; Homsy, G. M.; Azaiez, J.

1992-01-01

One of the most efficient techniques for drag reduction is the injection of polymers near a wall which can achieve a reduction in drag up to 80 percent. Several experimental observations tend to indicate that polymers modify the turbulence structures within the buffer layer and show that the changes consist of a weakening of the strength of the streamwise vortices. In this paper, we investigate the effects of viscoelasticity on two different types of flows: the vortex dipole impinging walls to model streamwise vortices in a turbulent boundary layer and the mixing layer that represents free shear flows. For this purpose, we examined three different rheological models: the Oldroyd-B model, the Jeffrey's corotational model, and the FENE-P model.

Environmentally-assisted technique for transferring devices onto non-conventional substrates

DOEpatents

Lee, Chi-Hwan; Kim, Dong Rip; Zheng, Xiaolin

2014-08-26

A device fabrication method includes: (1) providing a growth substrate including a base and an oxide layer disposed over the base; (2) forming a metal layer over the oxide layer; (3) forming a stack of device layers over the metal layer; (4) performing interfacial debonding of the metal layer to separate the stack of device layers and the metal layer from the growth substrate; and (5) affixing the stack of device layers to a target substrate.

Fabrication of Inverted Bulk-Heterojunction Organic Solar Cell with Ultrathin Titanium Oxide Nanosheet as an Electron-Extracting Buffer Layer

NASA Astrophysics Data System (ADS)

Itoh, Eiji; Maruyama, Yasutake; Fukuda, Katsutoshi

2012-02-01

The contributions and deposition conditions of ultrathin titania nanosheet (TN) crystallites were studied in an inverted bulk-heterojunction (BHJ) cell in indium tin oxide (ITO)/titania nanosheet/poly(3-hexylthiophene) (P3HT):phenyl-C61-butyric acid methylester (PCBM) active layer/MoOx/Ag multilayered photovoltaic devices. Only one or two layers of poly(diallyldimethylammonium chloride) (PDDA) and TN multilayered film deposited by the layer-by-layer deposition technique effectively decreased the leakage current and increased both open circuit voltage (VOC) and fill factor (FF), and power conversion efficiency (η) was increased nearly twofold by the insertion of two TN layers. The deposition of additional TN layers caused the reduction in FF, and the abnormal S-shaped curves above VOC for the devices with three and four TN layers were ascribed to the interfacial potential barrier at the ITO/TN interface and the series resistance across the multilayers of TN and PDDA. The performance of the BHJ cell with TN was markedly improved, and the S-shaped curves were eliminated following the the insertion of anatase-phase titanium dioxide between the ITO and TN layers owing to the decrease in the interfacial potential barrier.

Low-temperature sol-gel oxide TFT with a fluoropolymer dielectric to enhance the effective mobility at low operation voltage

NASA Astrophysics Data System (ADS)

Yu, Shang-Yu; Wang, Kuan-Hsun; Zan, Hsiao-Wen; Soppera, Olivier

2017-06-01

In this article, we propose a solution-processed high-performance amorphous indium-zinc oxide (a-IZO) thin-film transistor (TFT) gated with a fluoropolymer dielectric. Compared with a conventional IZO TFT with a silicon nitride dielectric, a fluoropolymer dielectric effectively reduces the operation voltage to less than 3 V and greatly increases the effective mobility 40-fold. We suggest that the dipole layer formed at the dielectric surface facilitates electron accumulation and induces the electric double-layer effect. The dipole-induced hysteresis effect is also investigated.

Flat-lying semiconductor-insulator interfacial layer in DNTT thin films.

PubMed

Jung, Min-Cherl; Leyden, Matthew R; Nikiforov, Gueorgui O; Lee, Michael V; Lee, Han-Koo; Shin, Tae Joo; Takimiya, Kazuo; Qi, Yabing

2015-01-28

The molecular order of organic semiconductors at the gate dielectric is the most critical factor determining carrier mobility in thin film transistors since the conducting channel forms at the dielectric interface. Despite its fundamental importance, this semiconductor-insulator interface is not well understood, primarily because it is buried within the device. We fabricated dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DNTT) thin film transistors by thermal evaporation in vacuum onto substrates held at different temperatures and systematically correlated the extracted charge mobility to the crystal grain size and crystal orientation. As a result, we identify a molecular layer of flat-lying DNTT molecules at the semiconductor-insulator interface. It is likely that such a layer might form in other material systems as well, and could be one of the factors reducing charge transport. Controlling this interfacial flat-lying layer may raise the ultimate possible device performance for thin film devices.

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.

Low temperature formation of higher-k cubic phase HfO{sub 2} by atomic layer deposition on GeO{sub x}/Ge structures fabricated by in-situ thermal oxidation

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

Zhang, R., E-mail: zhang@mosfet.t.u-tokyo.ac.jp; Department of Information Science and Electronic Engineering, Zhejiang University, 38 Zheda Road, Hangzhou 310027; Huang, P.-C.

2016-02-01

We have demonstrated a low temperature formation (300 °C) of higher-k HfO{sub 2} using atomic layer deposition (ALD) on an in-situ thermal oxidation GeO{sub x} interfacial layer. It is found that the cubic phase is dominant in the HfO{sub 2} film with an epitaxial-like growth behavior. The maximum permittivity of 42 is obtained for an ALD HfO{sub 2} film on a 1-nm-thick GeO{sub x} form by the in-situ thermal oxidation. It is suggested from physical analyses that the crystallization of cubic phase HfO{sub 2} can be induced by the formation of six-fold crystalline GeO{sub x} structures in the underlying GeO{sub x}more » interfacial layer.« less

Hidden Interface Driven Exchange Coupling in Oxide Heterostructures

DOE PAGES

Chen, Aiping; Wang, Qiang; Fitzsimmons, Michael R.; ...

2017-05-02

In a variety of emergent phenomena have been enabled by interface engineering in complex oxides. The existence of an intrinsic interfacial layer has often been found at oxide heterointerfaces. But, the role of such an interlayerin controlling functionalities is not fully explored. Here, we report the control of the exchange bias (EB) in single-phase manganite thin films with nominallyuniform chemical composition across the interfaces. The sign of EB depends on the magnitude of the cooling field. A pinned layer, confirmed by polarized neutron reflectometry, provides the source of unidirectional anisotropy. The origin of the exchange bias coupling is discussed inmore » terms of magnetic interactions between the interfacial ferromagnetically reduced layer and the bulk ferromagnetic region. The sign of EB is related to the frustration of antiferromagnetic coupling between the ferromagnetic region and the pinned layer. These results shed new light on using oxide interfaces to design functional spintronic devices.« less

Reduced quenching effects of organic gain media with metallic electrodes via introducing a conjugated macroelectrolyte interlayer

NASA Astrophysics Data System (ADS)

Yi, Jianpeng; Huang, Jinjin; Liu, Chengfang; Lai, Wen-Yong; Huang, Wei

2017-01-01

We have demonstrated amplified spontaneous emission (ASE) restoration and threshold reduction by introducing a novel water/alcohol soluble conjugated macroelectrolyte, tris(4-(7-(9,9-di(hexyl-1-N,N-diethanolamino)-9H-fluoren-2-yl)-9,9-di(hexyl-1-N,N-diethanolamino)-9H-fluoren-2-yl)phenyl)amine (TPAOH), serving as an interfacial layer between the gain media layer, dioctyl substituted polyfluorene (PFO), and the Ag electrode layer. By optimizing the film thickness of TPAOH, enhanced ASE performance has been achieved with the lowest threshold of 21 μJ/cm2, demonstrating 3.5-fold reduction from 74 μJ/cm2. Atomic force microscopy results showed good compatibility between the TPAOH film and the PFO layer. The results suggest a facile and low-cost solution-processing interfacial technique to construct efficient organic semiconductor lasers in the presence of metallic electrodes.

Doping-Induced Interband Gain in InAs/AlSb Quantum Wells

NASA Technical Reports Server (NTRS)

Kolokolov, K. I.; Ning, C. Z.

2005-01-01

A paper describes a computational study of effects of doping in a quantum well (QW) comprising a 10-nm-thick layer of InAs sandwiched between two 21-nm-thick AlSb layers. Heretofore, InAs/AlSb QWs have not been useful as interband gain devices because they have type-II energy-band-edge alignment, which causes spatial separation of electrons and holes, thereby leading to weak interband dipole matrix elements. In the doping schemes studied, an interior sublayer of each AlSb layer was doped at various total areal densities up to 5 X 10(exp 12) / square cm. It was found that (1) proper doping converts the InAs layer from a barrier to a well for holes, thereby converting the heterostructure from type II to type I; (2) the resultant dipole matrix elements and interband gains are comparable to those of typical type-I heterostructures; and (3) dipole moments and optical gain increase with the doping level. Optical gains in the transverse magnetic mode can be almost ten times those of other semiconductor material systems in devices used to generate medium-wavelength infrared (MWIR) radiation. Hence, doped InAs/AlSb QWs could be the basis of an alternative material system for devices to generate MWIR radiation.

Investigation of the dipole formation and growth behavior at In2O3|TiO2 heterojunctions using photoemission spectroscopy and atomic force microscopy

NASA Astrophysics Data System (ADS)

Schaefer, Michael; Halpegamage, Sandamali; Batzill, Matthias; Schlaf, Rudy

2016-02-01

This paper discusses the investigation of the dipole formation at In2O3|TiO2 heterojunctions depending on preparation conditions, i.e., cleaning methods. In2O3 films were deposited using atomic layer deposition (ALD) onto solvent and in situ cleaned anatase and rutile film substrates. The interface dipole strength and film thickness were evaluated by photoemission spectroscopy. Our results indicate the formation of a large intrinsic and film thickness dependent interface dipole that reaches its maximum strength at monolayer thick ALD films. In addition, it was observed that UV photoelectron spectroscopy measurements introduced UV induced surface hydroxylation, which resulted in dipole potentials of -0.70 eV and -0.50 eV on solvent cleaned anatase and rutile, respectively. The overlayers also introduced small amounts of band bending (˜0.10 eV) at the interfaces. Taking these effects into account, the total dipole strength at monolayer thick In2O3 films was determined to be -0.96 eV for solvent cleaned anatase and rutile and -0.81 eV for in situ cleaned rutile. The deposition of single ALD cycles on differently cleaned rutile substrates resulted in similar work function values, suggesting little influence of the sample preparation method prior to ALD deposition on the dipole formation. This was assigned to the fact that ALD oxides benefit from ambient water related contamination by integrating the molecules into the growing ALD layer. Highest initial growth was observed on solvent cleaned rutile, followed by in-situ cleaned rutile and solvent cleaned anatase. The In2O3 growth converged at 0.3 Å/c past the nucleation regime.

Investigation of energy band alignments and interfacial properties of rutile NMO2/TiO2 (NM = Ru, Rh, Os, and Ir) by first-principles calculations.

PubMed

Yang, Chen; Zhao, Zong-Yan

2017-11-08

In the field of photocatalysis, constructing hetero-structures is an efficient strategy to improve quantum efficiency. However, a lattice mismatch often induces unfavorable interfacial states that can act as recombination centers for photo-generated electron-hole pairs. If the hetero-structure's components have the same crystal structure, this disadvantage can be easily avoided. Conversely, in the process of loading a noble metal co-catalyst onto the TiO 2 surface, a transition layer of noble metal oxides is often formed between the TiO 2 layer and the noble metal layer. In this article, interfacial properties of hetero-structures composed of a noble metal dioxide and TiO 2 with a rutile crystal structure have been systematically investigated using first-principles calculations. In particular, the Schottky barrier height, band bending, and energy band alignments are studied to provide evidence for practical applications. In all cases, no interfacial states exist in the forbidden band of TiO 2 , and the interfacial formation energy is very small. A strong internal electric field generated by interfacial electron transfer leads to an efficient separation of photo-generated carriers and band bending. Because of the differences in the atomic properties of the components, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures demonstrate band dividing, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures have a pseudo-gap near the Fermi energy level. Furthermore, NMO 2 /TiO 2 hetero-structures show upward band bending. Conversely, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures present a relatively strong infrared light absorption, while RhO 2 /TiO 2 and IrO 2 /TiO 2 hetero-structures show an obvious absorption edge in the visible light region. Overall, considering all aspects of their properties, RuO 2 /TiO 2 and OsO 2 /TiO 2 hetero-structures are more suitable than others for improving the photocatalytic performance of TiO 2 . These findings will provide useful information for understanding the role and effects of a noble metal dioxide as a transition layer between a noble metal co-catalyst and a TiO 2 photocatalyst.

A functional protein retention and release multilayer with high stability

NASA Astrophysics Data System (ADS)

Nie, Kun; An, Qi; Zhang, Yihe

2016-04-01

Effective and robust interfacial protein retention lies at the heart of the fabrication of protein-based functional interfaces, which is potentially applicable in catalysis, medical therapy, antifouling, and smart devices, but remains challenging due to the sensitive nature of proteins. This study reports a general protein retention strategy to spatial-temporally confine various types of proteins at interfacial regions. The proteins were preserved in mesoporous silica nanoparticles embedded in covalently woven multilayers. It is worth noting that the protein retention strategy effectively preserves the catalytic capabilities of the proteins, and the multilayer structure is robust enough to withstand the bubbling catalytic reactions and could be repeatedly used due to conservation of proteins. The spatiotemporal retention of proteins could be adjusted by varying the number of capping layers. Furthermore, we demonstrate that the protein-loaded interfacial layers could not only be used to construct catalytic-active interfaces, but also be integrated as the power-generating unit to propel a macroscopic floating device.Effective and robust interfacial protein retention lies at the heart of the fabrication of protein-based functional interfaces, which is potentially applicable in catalysis, medical therapy, antifouling, and smart devices, but remains challenging due to the sensitive nature of proteins. This study reports a general protein retention strategy to spatial-temporally confine various types of proteins at interfacial regions. The proteins were preserved in mesoporous silica nanoparticles embedded in covalently woven multilayers. It is worth noting that the protein retention strategy effectively preserves the catalytic capabilities of the proteins, and the multilayer structure is robust enough to withstand the bubbling catalytic reactions and could be repeatedly used due to conservation of proteins. The spatiotemporal retention of proteins could be adjusted by varying the number of capping layers. Furthermore, we demonstrate that the protein-loaded interfacial layers could not only be used to construct catalytic-active interfaces, but also be integrated as the power-generating unit to propel a macroscopic floating device. Electronic supplementary information (ESI) available: UV-vis spectra of the substrate covered by only polymeric (PAH/PAA)5/(PAH/DAS)5 multilayers, UV-vis spectra of the covalently cross-linked (PAH/SiO2 NP)5/(PAH/DAS)5 hybrid multilayers and (CAT/PAH)5/(PAH/DAS)5 films. TEM of the mesoporous silica. See DOI: 10.1039/c6nr01671e

p-Type semiconducting nickel oxide as an efficiency-enhancing anodal interfacial layer in bulk heterojunction solar cells

DOEpatents

Irwin, Michael D; Buchholz, Donald B; Marks, Tobin J; Chang, Robert P. H.

2014-11-25

The present invention, in one aspect, relates to a solar cell. In one embodiment, the solar cell includes an anode, a p-type semiconductor layer formed on the anode, and an active organic layer formed on the p-type semiconductor layer, where the active organic layer has an electron-donating organic material and an electron-accepting organic material.

Insight into interfacial effect on effective physical properties of fibrous materials. I. The volume fraction of soft interfaces around anisotropic fibers.

PubMed

Xu, Wenxiang; Wang, Han; Niu, Yanze; Bai, Jingtao

2016-01-07

With advances in interfacial properties characterization technologies, the interfacial volume fraction is a feasible parameter for evaluating effective physical properties of materials. However, there is a need to determine the interfacial volume fraction around anisotropic fibers and a need to assess the influence of such the interfacial property on effective properties of fibrous materials. Either ways, the accurate prediction of interfacial volume fraction is required. Towards this end, we put forward both theoretical and numerical schemes to determine the interfacial volume fraction in fibrous materials, which are considered as a three-phase composite structure consisting of matrix, anisotropic hard spherocylinder fibers, and soft interfacial layers with a constant dimension coated on the surface of each fiber. The interfacial volume fraction actually represents the fraction of space not occupied by all hard fibers and matrix. The theoretical scheme that adopts statistical geometry and stereological theories is essentially an analytic continuation from spherical inclusions. By simulating such three-phase chopped fibrous materials, we numerically derive the interfacial volume fraction. The theoretical and numerical schemes provide a quantitative insight that the interfacial volume fraction depends strongly on the fiber geometries like fiber shape, geometric size factor, and fiber size distribution. As a critical interfacial property, the present contribution can be further drawn into assessing effective physical properties of fibrous materials, which will be demonstrated in another paper (Part II) of this series.

Role of ultrathin metal fluoride layer in organic photovoltaic cells: mechanism of efficiency and lifetime enhancement.

PubMed

Lim, Kyung-Geun; Choi, Mi-Ri; Kim, Ji-Hoon; Kim, Dong Hun; Jung, Gwan Ho; Park, Yongsup; Lee, Jong-Lam; Lee, Tae-Woo

2014-04-01

Although rapid progress has been made recently in bulk heterojunction organic solar cells, systematic studies on an ultrathin interfacial layer at the electron extraction contact have not been conducted in detail, which is important to improve both the device efficiency and the lifetime. We find that an ultrathin BaF2 layer at the electron extraction contact strongly influences the open-circuit voltage (Voc ) as the nanomorphology evolves with increasing BaF2 thickness. A vacuum-deposited ultrathin BaF2 layer grows by island growth, so BaF2 layers with a nominal thickness less than that of single-coverage layer (≈3 nm) partially cover the polymeric photoactive layer. As the nominal thickness of the BaF2 layer increased to that of a single-coverage layer, the Voc and power conversion efficiency (PCE) of the organic photovoltaic cells (OPVs) increased but the short-circuit current remained almost constant. The fill factor and the PCE decreased abruptly as the thickness of the BaF2 layer exceeded that of a single-coverage layer, which was ascribed to the insulating nature of BaF2 . We find the major cause of the increased Voc observed in these devices is the lowered work function of the cathode caused by the reaction and release of Ba from thin BaF2 films upon deposition of Al. The OPV device with the BaF2 layer showed a slightly improved maximum PCE (4.0 %) and a greatly (approximately nine times) increased device half-life under continuous simulated solar irradiation at 100 mW cm(-2) as compared with the OPV without an interfacial layer (PCE=2.1 %). We found that the photodegradation of the photoactive layer was not a major cause of the OPV degradation. The hugely improved lifetime with cathode interface modification suggests a significant role of the cathode interfacial layer that can help to prolong device lifetimes. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Superconducting Magnets and Materials R&D | Technical Division

Science.gov Websites

Dipoles for VLHC The design and main parameters of FNAL dipole models of the HFDA series are described in structure suitable for industrialization. The magnet design was based on a two-layer shell-type coil and a design (HFDC), which meets the VLHC requirements and allows using the React&Wind (R&W) technology

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

Ling, Yang; Li, Weizhen; Wang, Baoyu

Carbon nanotubes (CNTs) functionalized by a nanothin poly(dopamine) (PDA) layer were produced by a one-pot, nondestructive approach, with direct polymerization of dopamine on the CNT surface. The thickness of the PDA layer can be well-controlled by the reaction time and the proportion of dopamine, and this thickness is found to be the key factor in controlling the dispersion of CNTs and the extent of the interfacial interactions between the CNT@PDA and epoxy resin. SEM results indicated that the dispersion of CNTs in epoxy was improved significantly by coating a nanothin PDA layer onto the CNT surface. In agreeme nt withmore » this finding, the CNTs functionalized with the thinnest PDA layer provided the best mechanical and thermal properties. This result confirmed that a thinner PDA layer could provide optimized interfacial interactions between the CNT@PDA and epoxy matrix and weaken the self-agglomeration of CNTs, which led to an improved effective stress and heat transfer between the CNTs and the polymer matrix.« less

Direct observation of interfacial Au atoms on TiO₂ in three dimensions.

PubMed

Gao, Wenpei; Sivaramakrishnan, Shankar; Wen, Jianguo; Zuo, Jian-Min

2015-04-08

Interfacial atoms, which result from interactions between the metal nanoparticles and support, have a large impact on the physical and chemical properties of nanoparticles. However, they are difficult to observe; the lack of knowledge has been a major obstacle toward unraveling their role in chemical transformations. Here we report conclusive evidence of interfacial Au atoms formed on the rutile (TiO2) (110) surfaces by activation using high-temperature (∼500 °C) annealing in air. Three-dimensional imaging was performed using depth-sectioning enabled by aberration-corrected scanning transmission electron microscopy. Results show that the interface between Au nanocrystals and TiO2 (110) surfaces consists of a single atomic layer with Au atoms embedded inside Ti-O. The number of interfacial Au atoms is estimated from ∼1-8 in an interfacial atomic column. Direct impact of interfacial Au atoms is observed on an enhanced Au-TiO2 interaction and the reduction of surface TiO2; both are critical to Au catalysis.

Surface pressure and elasticity of hydrophobin HFBII layers on the air-water interface: rheology versus structure detected by AFM imaging.

PubMed

Stanimirova, Rumyana D; Gurkov, Theodor D; Kralchevsky, Peter A; Balashev, Konstantin T; Stoyanov, Simeon D; Pelan, Eddie G

2013-05-21

Here, we combine experiments with Langmuir trough and atomic force microscopy (AFM) to investigate the reasons for the special properties of layers from the protein HFBII hydrophobin spread on the air-water interface. The hydrophobin interfacial layers possess the highest surface dilatational and shear elastic moduli among all investigated proteins. The AFM images show that the spread HFBII layers are rather inhomogeneous, (i.e., they contain voids, monolayer and multilayer domains). A continuous compression of the layer leads to filling the voids and transformation of a part of the monolayer into a trilayer. The trilayer appears in the form of large surface domains, which can be formed by folding and subduction of parts from the initial monolayer. The trilayer appears also in the form of numerous submicrometer spots, which can be obtained by forcing protein molecules out of the monolayer and their self-assembly into adjacent pimples. Such structures are formed because not only the hydrophobic parts, but also the hydrophilic parts of the HFBII molecules can adhere to each other in the water medium. If a hydrophobin layer is subjected to oscillations, its elasticity considerably increases, up to 500 mN/m, which can be explained with compaction. The relaxation of the layer's tension after expansion or compression follows the same relatively simple law, which refers to two-dimensional diffusion of protein aggregates within the layer. The characteristic diffusion time after compression is longer than after expansion, which can be explained with the impedence of diffusion in the more compact interfacial layer. The results shed light on the relation between the mesoscopic structure of hydrophobin interfacial layers and their unique mechanical properties that find applications for the production of foams and emulsions of extraordinary stability; for the immobilization of functional molecules at surfaces, and as coating agents for surface modification.

Finite element approximation of the fields of bulk and interfacial line defects

NASA Astrophysics Data System (ADS)

Zhang, Chiqun; Acharya, Amit; Puri, Saurabh

2018-05-01

A generalized disclination (g.disclination) theory (Acharya and Fressengeas, 2015) has been recently introduced that goes beyond treating standard translational and rotational Volterra defects in a continuously distributed defects approach; it is capable of treating the kinematics and dynamics of terminating lines of elastic strain and rotation discontinuities. In this work, a numerical method is developed to solve for the stress and distortion fields of g.disclination systems. Problems of small and finite deformation theory are considered. The fields of a single disclination, a single dislocation treated as a disclination dipole, a tilt grain boundary, a misfitting grain boundary with disconnections, a through twin boundary, a terminating twin boundary, a through grain boundary, a star disclination/penta-twin, a disclination loop (with twist and wedge segments), and a plate, a lenticular, and a needle inclusion are approximated. It is demonstrated that while the far-field topological identity of a dislocation of appropriate strength and a disclination-dipole plus a slip dislocation comprising a disconnection are the same, the latter microstructure is energetically favorable. This underscores the complementary importance of all of topology, geometry, and energetics in understanding defect mechanics. It is established that finite element approximations of fields of interfacial and bulk line defects can be achieved in a systematic and routine manner, thus contributing to the study of intricate defect microstructures in the scientific understanding and predictive design of materials. Our work also represents one systematic way of studying the interaction of (g.)disclinations and dislocations as topological defects, a subject of considerable subtlety and conceptual importance (Aharoni et al., 2017; Mermin, 1979).

Excess chemical potential of small solutes across water--membrane and water--hexane interfaces

NASA Technical Reports Server (NTRS)

Pohorille, A.; Wilson, M. A.

1996-01-01

The excess chemical potentials of five small, structurally related solutes, CH4, CH3F, CH2F2, CHF3, and CF4, across the water-glycerol 1-monooleate bilayer and water-hexane interfaces were calculated at 300, 310, and 340 K using the particle insertion method. The excess chemical potentials of nonpolar molecules (CH4 and CF4) decrease monotonically or nearly monotonically from water to a nonpolar phase. In contrast, for molecules that possess permanent dipole moments (CH3F, CH2F, and CHF3), the excess chemical potentials exhibit an interfacial minimum that arises from superposition of two monotonically and oppositely changing contributions: electrostatic and nonelectrostatic. The nonelectrostatic term, dominated by the reversible work of creating a cavity that accommodates the solute, decreases, whereas the electrostatic term increases across the interface from water to the membrane interior. In water, the dependence of this term on the dipole moment is accurately described by second order perturbation theory. To achieve the same accuracy at the interface, third order terms must also be included. In the interfacial region, the molecular structure of the solvent influences both the excess chemical potential and solute orientations. The excess chemical potential across the interface increases with temperature, but this effect is rather small. Our analysis indicates that a broad range of small, moderately polar molecules should be surface active at the water-membrane and water-oil interfaces. The biological and medical significance of this result, especially in relation to the mechanism of anesthetic action, is discussed.

Residual stress within nanoscale metallic multilayer systems during thermal cycling

DOE PAGES

Economy, David Ross; Cordill, Megan Jo; Payzant, E. Andrew; ...

2015-09-21

Projected applications for nanoscale metallic multilayers will include wide temperature ranges. Since film residual stress has been known to alter system reliability, stress development within new film structures with high interfacial densities should be characterized to identify potential long-term performance barriers. To understand factors contributing to thermal stress evolution within nanoscale metallic multilayers, stress in Cu/Nb systems adhered to Si substrates was calculated from curvature measurements collected during cycling between 25 °C and 400 °C. Additionally, stress within each type of component layers was calculated from shifts in the primary peak position from in-situ heated X-ray diffraction. The effects ofmore » both film architecture (layer thickness) and layer order in metallic multilayers were tracked and compared with monolithic Cu and Nb films. Analysis indicated that the thermoelastic slope of nanoscale metallic multilayer films depends on thermal expansion mismatch, elastic modulus of the components, and also interfacial density. The layer thickness (i.e. interfacial density) affected thermoelastic slope magnitude while layer order had minimal impact on stress responses after the initial thermal cycle. When comparing stress responses of monolithic Cu and Nb films to those of the Cu/Nb systems, the nanoscale metallic multilayers show a similar increase in stress above 200 °C to the Nb monolithic films, indicating that Nb components play a larger role in stress development than Cu. Local stress calculations from X-ray diffraction peak shifts collected during heating reveal that the component layers within a multilayer film respond similarly to their monolithic counterparts.« less

TiN/Al2O3/ZnO gate stack engineering for top-gate thin film transistors by combination of post oxidation and annealing

NASA Astrophysics Data System (ADS)

Kato, Kimihiko; Matsui, Hiroaki; Tabata, Hitoshi; Takenaka, Mitsuru; Takagi, Shinichi

2018-04-01

Control of fabrication processes for a gate stack structure with a ZnO thin channel layer and an Al2O3 gate insulator has been examined for enhancing the performance of a top-gate ZnO thin film transistor (TFT). The Al2O3/ZnO interface and the ZnO layer are defective just after the Al2O3 layer formation by atomic layer deposition. Post treatments such as plasma oxidation, annealing after the Al2O3 deposition, and gate metal formation (PMA) are promising to improve the interfacial and channel layer qualities drastically. Post-plasma oxidation effectively reduces the interfacial defect density and eliminates Fermi level pinning at the Al2O3/ZnO interface, which is essential for improving the cut-off of the drain current of TFTs. A thermal effect of post-Al2O3 deposition annealing at 350 °C can improve the crystalline quality of the ZnO layer, enhancing the mobility. On the other hand, impacts of post-Al2O3 deposition annealing and PMA need to be optimized because the annealing can also accompany the increase in the shallow-level defect density and the resulting electron concentration, in addition to the reduction in the deep-level defect density. The development of the interfacial control technique has realized the excellent TFT performance with a large ON/OFF ratio, steep subthreshold characteristics, and high field-effect mobility.

Nanoscale self-templating for oxide epitaxy with large symmetry mismatch

DOE PAGES

Gao, Xiang; Lee, Shinbuhm; Nichols, John A.; ...

2016-12-02

Direct observations using scanning transmission electron microscopy unveil an intriguing interfacial bi-layer that enables epitaxial growth of a strain-free, monoclinic, bronze-phase VO 2(B) thin film on a perovskite SrTiO 3 (STO) substrate. For this study, we observe an ultrathin (2–3 unit cells) interlayer best described as highly strained VO 2(B) nanodomains combined with an extra (Ti,V)O 2 layer on the TiO 2 terminated STO (001) surface. By forming a fully coherent interface with the STO substrate and a semi-coherent interface with the strain-free epitaxial VO 2(B) film above, the interfacial bi-layer enables the epitaxial connection of the two materials despitemore » their large symmetry and lattice mismatch.« less

Interfacial exchange, magnetic coupling and magnetoresistance in ultra-thin GdN/NbN/GdN tri-layers

NASA Astrophysics Data System (ADS)

Takamura, Yota; Goncalves, Rafael S.; Cascales, Juan Pedro; Altinkok, Atilgan; de Araujo, Clodoaldo I. L.; Lauter, Valeria; Moodera, Jagadeesh S.; MIT Team

Superconducting spin-valve structures with a superconductive (SC) spacer sandwiched between ferromagnetic (FM) insulating layers [Li PRL 2013, Senapati APL 2013, Zhu Nat. Mat. 2016.] are attractive since the SC and FM characteristics can mutually be controlled by the proximity effect. We investigated reactively sputtered GdN/NbN/GdN tri-layer structures with various (SC) NbN spacer thicknesses (dNbN) from superconducting to normal layers. Magnetoresistive behavior similar to GMR in metallic magnetic multilayers was observed in the tri-layers with dNbN between 5-10 monolayers (ML), where thinner NbN layers did not show superconductivity down to 4.2 K. The occurrence of GMR signal indicates the presence of a ML of FM metallic layers at the GdN/NbN interfaces. Susceptibility and transport measurements in these samples revealed that the interface layers (ILs) are ferromagnetically coupled with adjacent GdN layers. The thickness of each of the IL is deduced to be about 1.25 ML, and as a result for dNbN <2.5-ML the two FM layers in the tri-layer were magnetically coupled and switched simultaneously. These findings and interfacial characterization by various techniques will be presented. Work supported by NSF and ONR Grants.

Gate-Induced Interfacial Superconductivity in 1T-SnSe2.

PubMed

Zeng, Junwen; Liu, Erfu; Fu, Yajun; Chen, Zhuoyu; Pan, Chen; Wang, Chenyu; Wang, Miao; Wang, Yaojia; Xu, Kang; Cai, Songhua; Yan, Xingxu; Wang, Yu; Liu, Xiaowei; Wang, Peng; Liang, Shi-Jun; Cui, Yi; Hwang, Harold Y; Yuan, Hongtao; Miao, Feng

2018-02-14

Layered metal chalcogenide materials provide a versatile platform to investigate emergent phenomena and two-dimensional (2D) superconductivity at/near the atomically thin limit. In particular, gate-induced interfacial superconductivity realized by the use of an electric-double-layer transistor (EDLT) has greatly extended the capability to electrically induce superconductivity in oxides, nitrides, and transition metal chalcogenides and enable one to explore new physics, such as the Ising pairing mechanism. Exploiting gate-induced superconductivity in various materials can provide us with additional platforms to understand emergent interfacial superconductivity. Here, we report the discovery of gate-induced 2D superconductivity in layered 1T-SnSe 2 , a typical member of the main-group metal dichalcogenide (MDC) family, using an EDLT gating geometry. A superconducting transition temperature T c ≈ 3.9 K was demonstrated at the EDL interface. The 2D nature of the superconductivity therein was further confirmed based on (1) a 2D Tinkham description of the angle-dependent upper critical field B c2 , (2) the existence of a quantum creep state as well as a large ratio of the coherence length to the thickness of superconductivity. Interestingly, the in-plane B c2 approaching zero temperature was found to be 2-3 times higher than the Pauli limit, which might be related to an electric field-modulated spin-orbit interaction. Such results provide a new perspective to expand the material matrix available for gate-induced 2D superconductivity and the fundamental understanding of interfacial superconductivity.

Interfacial reactions of ozone with surfactant protein B in a model lung surfactant system.

PubMed

Kim, Hugh I; Kim, Hyungjun; Shin, Young Shik; Beegle, Luther W; Jang, Seung Soon; Neidholdt, Evan L; Goddard, William A; Heath, James R; Kanik, Isik; Beauchamp, J L

2010-02-24

Oxidative stresses from irritants such as hydrogen peroxide and ozone (O(3)) can cause dysfunction of the pulmonary surfactant (PS) layer in the human lung, resulting in chronic diseases of the respiratory tract. For identification of structural changes of pulmonary surfactant protein B (SP-B) due to the heterogeneous reaction with O(3), field-induced droplet ionization (FIDI) mass spectrometry has been utilized. FIDI is a soft ionization method in which ions are extracted from the surface of microliter-volume droplets. We report structurally specific oxidative changes of SP-B(1-25) (a shortened version of human SP-B) at the air-liquid interface. We also present studies of the interfacial oxidation of SP-B(1-25) in a nonionizable 1-palmitoyl-2-oleoyl-sn-glycerol (POG) surfactant layer as a model PS system, where competitive oxidation of the two components is observed. Our results indicate that the heterogeneous reaction of SP-B(1-25) at the interface is quite different from that in the solution phase. In comparison with the nearly complete homogeneous oxidation of SP-B(1-25), only a subset of the amino acids known to react with ozone are oxidized by direct ozonolysis in the hydrophobic interfacial environment, both with and without the lipid surfactant layer. Combining these experimental observations with the results of molecular dynamics simulations provides an improved understanding of the interfacial structure and chemistry of a model lung surfactant system subjected to oxidative stress.

Cursory examination of the zeta potential behaviors of two optical materials

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

Tesar, A.; Oja, T.

1992-01-02

When an oxide surface is placed in water, a difference in potential across the interface occurs due to dipole orientation. Hydroxyl groups or bound oxygen atoms on the oxide surface will orient adjacent water molecules which balance the dipole charge. This occurs over some small distance called the electrical double layer. Trace amounts of high field strength ions present in the vicinity of the double layer can have significant effects on the double layer. When there is movement of the oxide surface with respect to the water, a shearing of the double layer occurs. The electrical potential at this surfacemore » of shear is termed the zeta potential. The impetus for this study was to document the zeta potential behavior in water of two optical materials. (1) a multicomponent phosphate glass; and (2) Zerodur, a silicate glass-ceramic.« less

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

Heverhagen, Jonas; Checco, Antonio; Tasinkevych, Mykola

In our study, the development of highly efficient nanofluidic devices necessitates means for enhancing and controlling fluid transport under confinement. We show experimentally that significant interfacial drag reduction in nanoscale channels can be obtained with hydrophobic arrays of conical textures tapering to a radius of less than 10 nanometer at their tip. Finally, this geometry maximizes interfacial slippage by trapping a highly resilient air layer at the solid/liquid interface.

Interfacial structure and electrical properties of ultrathin HfO2 dielectric films on Si substrates by surface sol-gel method

NASA Astrophysics Data System (ADS)

Gong, You-Pin; Li, Ai-Dong; Qian, Xu; Zhao, Chao; Wu, Di

2009-01-01

Ultrathin HfO2 films with about ~3 nm thickness were deposited on n-type (1 0 0) silicon substrates using hafnium chloride (HfCl4) source by the surface sol-gel method and post-deposition annealing (PDA). The interfacial structure and electrical properties of ultrathin HfO2 films were investigated. The HfO2 films show amorphous structures and smooth surface morphologies with a very thin interfacial oxide layer of ~0.5 nm and small surface roughness (~0.45 nm). The 500 °C PDA treatment forms stronger Hf-O bonds, leading to passivated traps, and the interfacial layer is mainly Hf silicate (HfxSiyOz). Equivalent oxide thickness of around 0.84 nm of HfO2/Si has been obtained with a leakage current density of 0.7 A cm-2 at Vfb + 1 V after 500 °C PDA. It was found that the current conduction mechanism of HfO2/Si varied from Schottky-Richardson emission to Fowler-Nordheim tunnelling at an applied higher positive voltage due to the activated partial traps remaining in the ultrathin HfO2 films.

New flange correction formula applied to interfacial resistance measurements of ohmic contacts to GaAs

NASA Technical Reports Server (NTRS)

Lieneweg, Udo; Hannaman, David J.

1987-01-01

A quasi-two-dimensional analytical model is developed to account for vertical and horizontal current flow in and adjacent to a square ohmic contact between a metal and a thin semiconducting strip which is wider than the contact. The model includes side taps to the contact area for voltage probing and relates the 'apparent' interfacial resistivity to the (true) interfacial resistivity, the sheet resistance of the semiconducting layer, the contact size, and the width of the 'flange' around the contact. This relation is checked against numerical simulations. With the help of the model, interfacial resistivities of ohmic contacts to GaAs were extracted and found independent of contact size in the range of 1.5-10 microns.

How the charge-neutrality level of interface states controls energy level alignment in cathode contacts of organic bulk-heterojunction solar cells.

PubMed

Guerrero, Antonio; Marchesi, Luís F; Boix, Pablo P; Ruiz-Raga, Sonia; Ripolles-Sanchis, Teresa; Garcia-Belmonte, Germà; Bisquert, Juan

2012-04-24

Electronic equilibration at the metal-organic interface, leading to equalization of the Fermi levels, is a key process in organic optoelectronic devices. How the energy levels are set across the interface determines carrier extraction at the contact and also limits the achievable open-circuit voltage under illumination. Here, we report an extensive investigation of the cathode energy equilibration of organic bulk-heterojunction solar cells. We show that the potential to balance the mismatch between the cathode metal and the organic layer Fermi levels is divided into two contributions: spatially extended band bending in the organic bulk and voltage drop at the interface dipole layer caused by a net charge transfer. We scan the operation of the cathode under a varied set of conditions, using metals of different work functions in the range of ∼2 eV, different fullerene acceptors, and several cathode interlayers. The measurements allow us to locate the charge-neutrality level within the interface density of sates and calculate the corresponding dipole layer strength. The dipole layer withstands a large part of the total Fermi level mismatch when the polymer:fullerene blend ratio approaches ∼1:1, producing the practical alignment between the metal Fermi level and the charge-neutrality level. Origin of the interface states is linked with fullerene reduced molecules covering the metal contact. The dipole contribution, and consequently the band bending, is highly sensitive to the nature and amount of fullerene molecules forming the interface density of states. Our analysis provides a detailed picture of the evolution of the potentials in the bulk and the interface of the solar cell when forward voltage is applied or when photogeneration takes place.

Second-Order Vibrational Lineshapes from the Air/Water Interface.

PubMed

Ohno, Paul E; Wang, Hong-Fei; Paesani, Francesco; Skinner, James L; Geiger, Franz M

2018-05-10

We explore by means of modeling how absorptive-dispersive mixing between the second- and third-order terms modifies the imaginary χ total (2) responses from air/water interfaces under conditions of varying charge densities and ionic strength. To do so, we use published Im(χ (2) ) and χ (3) spectra of the neat air/water interface that were obtained either from computations or experiments. We find that the χ total (2) spectral lineshapes corresponding to experimentally measured spectra contain significant contributions from both interfacial χ (2) and bulk χ (3) terms at interfacial charge densities equivalent to less than 0.005% of a monolayer of water molecules, especially in the 3100 to 3300 cm -1 frequency region. Additionally, the role of short-range static dipole potentials is examined under conditions mimicking brine. Our results indicate that surface potentials, if indeed present at the air/water interface, manifest themselves spectroscopically in the tightly bonded H-bond network observable in the 3200 cm -1 frequency range.

The alteration of lipid bilayer dynamics by phloretin and 6-ketocholestanol.

PubMed

Przybylo, M; Procek, J; Hof, M; Langner, M

2014-02-01

Lipid bilayer properties are quantified with a variety of arbitrary selected parameters such as molecular packing and dynamics, electrostatic potentials or permeability. In the paper we determined the effect of phloretin and 6-ketocholestanol (dipole potential modifying agents) on the membrane hydration and efficiency of the trans-membrane water flow. The dynamics of water molecules within the lipid bilayer interface was evaluated using solvent relaxation method, whereas the osmotically induced trans-membrane water flux was estimated with the stopped-flow method using the liposome shrinkage kinetics. The presence of phloretin or 6-ketocholestanol resulted in a change of both, the interfacial hydration level and osmotically driven water fluxes. Specifically, the presence of 6-ketocholestanol reduced the amount and mobility of water in the membrane interface. It also slows the osmotically induced water flow. The interfacial hydration change caused by phloretin was much smaller and the effect on osmotically induced water flow was opposite to that of 6-ketocholestanol. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Experimental evidence for an optical interference model for vibrational sum frequency generation on multilayer organic thin film systems. I. Electric dipole approximation.

PubMed

O'Brien, Daniel B; Massari, Aaron M

2015-01-14

In the field of vibrational sum frequency generation spectroscopy (VSFG) applied to organic thin film systems, a significant challenge to data analysis is in the accurate description of optical interference effects. Herein, we provide experimental evidence that a model recently developed in our lab provides an accurate description of this phenomenon. We studied the organic small molecule N,N'-dioctyl-3,4,9,10-perylenedicarboximide vapor deposited as a thickness gradient on silicon wafer substrates with two oxide thicknesses and two surface preps. VSFG data were obtained using the ssp and the sps polarization combinations in the imide carbonyl stretching region as a function of organic thickness. In this first of two reports, the data are modeled and interpreted within the ubiquitous electric dipole approximation for VSFG. The intrinsic sample responses are parameterized during the fitting routines while optical interference effects are simply calculated from the model using known refractive indices, thin film thicknesses, and beam angles. The results indicate that the thin film model provides a good description of optical interferences, indicating that interfacial terms are significant. Inconsistencies between the fitting results within the bounds of the electric dipole response motivate deliberation for additional effects to be considered in the second report.

Optical control of inter-layer distance of hBN: a TDDFT study

NASA Astrophysics Data System (ADS)

Miyamoto, Yoshiyuki; Zhang, Hong; Miyazaki, Takehide; Rubio, Angel

In this presentation, we introduce an idea to modify inter-layer distance of hBN by shining IR laser in resonance with the frequency of the optical phonon (A2u mode). By performing the TDDFT-MD simulation under the IR laser, significant grow in an amplitude of the A2u phonon mode was observed and inter-layer contraction over 11 % of the original distance was achieved. The source of the stronger attraction of hBN sheets was attributed with increase of dipole moment of each layer coming from the motions of boron (B) and nitrogen (N) atoms in opposite directions. Since the dipole moments of these layers remain as parallel throughout the A2u phonon vibration, the increase of attractive force occurs between the two hBN sheets in analogy of the London force. In this talk, we will further discuss proper intensity of IR laser and potential applications of this phenomenon. This work was published in.

Nanowire membrane-based nanothermite: towards processable and tunable interfacial diffusion for solid state reactions.

PubMed

Yang, Yong; Wang, Peng-peng; Zhang, Zhi-cheng; Liu, Hui-ling; Zhang, Jingchao; Zhuang, Jing; Wang, Xun

2013-01-01

Interfacial diffusion is of great importance in determining the performance of solid-state reactions. For nanometer sized particles, some solid-state reactions can be triggered accidently by mechanical stress owing to their large surface-to-volume ratio compared with the bulk ones. Therefore, a great challenge is the control of interfacial diffusion for solid state reactions, especially for energetic materials. Here we demonstrate, through the example of nanowire-based thermite membrane, that the thermite solid-state reaction can be easily tuned via the introduction of low-surface-energy coating layer. Moreover, this silicon-coated thermite membrane exhibit controlled wetting behavior ranging from superhydrophilic to superhydrophobic and, simultaneously, to significantly reduce the friction sensitivity of thermite membrane. This effect enables to increase interfacial resistance by increasing the amount of coating material. Indeed, our results described here make it possible to tune the solid-state reactions through the manipulation of interfacial diffusion between the reactants.

Nanowire Membrane-based Nanothermite: towards Processable and Tunable Interfacial Diffusion for Solid State Reactions

NASA Astrophysics Data System (ADS)

Yang, Yong; Wang, Peng-Peng; Zhang, Zhi-Cheng; Liu, Hui-Ling; Zhang, Jingchao; Zhuang, Jing; Wang, Xun

2013-04-01

Interfacial diffusion is of great importance in determining the performance of solid-state reactions. For nanometer sized particles, some solid-state reactions can be triggered accidently by mechanical stress owing to their large surface-to-volume ratio compared with the bulk ones. Therefore, a great challenge is the control of interfacial diffusion for solid state reactions, especially for energetic materials. Here we demonstrate, through the example of nanowire-based thermite membrane, that the thermite solid-state reaction can be easily tuned via the introduction of low-surface-energy coating layer. Moreover, this silicon-coated thermite membrane exhibit controlled wetting behavior ranging from superhydrophilic to superhydrophobic and, simultaneously, to significantly reduce the friction sensitivity of thermite membrane. This effect enables to increase interfacial resistance by increasing the amount of coating material. Indeed, our results described here make it possible to tune the solid-state reactions through the manipulation of interfacial diffusion between the reactants.

Imaging the in-plane distribution of helium precipitates at a Cu/V interface

DOE PAGES

Chen, Di; Li, Nan; Yuryev, Dina; ...

2017-02-15

Here, we describe a transmission electron microscopy investigation of the distribution of helium precipitates within the plane of an interface between Cu and V. Statistical analysis of precipitate locations reveals a weak tendency for interfacial precipitates to align alongmore » $$\\langle$$110$$\\rangle$$-type crystallographic directions within the Cu layer. Comparison of these findings with helium-free Cu/V interfaces suggests that the precipitates may be aggregating preferentially along atomic-size steps in the interface created by threading dislocations in the Cu layer. Our observations also suggest that some precipitates may be aggregating along intersections between interfacial misfit dislocations.« less

Study on photoemission surface of varied doping GaN photocathode

NASA Astrophysics Data System (ADS)

Qiao, Jianliang; Du, Ruijuan; Ding, Huan; Gao, Youtang; Chang, Benkang

2014-09-01

For varied doping GaN photocathode, from bulk to surface the doping concentrations are distributed from high to low. The varied doping GaN photocathode may produce directional inside electric field within the material, so the higher quantum efficiency can be obtained. The photoemission surface of varied doping GaN photocathode is very important to the high quantum efficiency, but the forming process of the surface state after Cs activation or Cs/O activation has been not known completely. Encircling the photoemission mechanism of varied GaN photocathode, considering the experiment phenomena during the activation and the successful activation results, the varied GaN photocathode surface model [GaN(Mg):Cs]:O-Cs after activation with cesium and oxygen was given. According to GaN photocathode activation process and the change of electronic affinity, the comparatively ideal NEA property can be achieved by Cs or Cs/O activation, and higher quantum efficiency can be obtained. The results show: The effective NEA characteristic of GaN can be gotten only by Cs. [GaN(Mg):Cs] dipoles form the first dipole layer, the positive end is toward the vacuum side. In the activation processing with Cs/O, the second dipole layer is formed by O-Cs dipoles, A O-Cs dipole includes one oxygen atom and two Cs atoms, and the positive end is also toward the vacuum side thus the escape of electrons can be promoted.

Theoretical model for the discrete flexoelectric effect and a description for the sequence of intermediate smectic phases with increasing periodicity.

PubMed

Emelyanenko, A V; Osipov, M A

2003-11-01

A general phenomenological description and a simple molecular model is proposed for the "discrete" flexoelectric effect in tilted smectic liquid crystal phases. This effect defines a polarization in a smectic layer induced by a difference of director orientations in the two smectic layers adjacent to it. It is shown that the "discrete" flexoelectric effect is determined by electrostatic dipole-quadrupole interaction between positionally correlated molecules located in adjacent smectic layers, while the corresponding dipole-dipole interaction is responsible for a coupling between polarization vectors in neighboring layers. It is shown that a simple phenomenological model of a ferrielectric smectic liquid crystal, which has recently been proposed in the literature, can be used to describe the whole sequence of intermediate chiral smectic C* phases with increasing periods, and to determine the nonplanar structure of each phase without additional assumptions. In this sequence the phases with three- and four-layer periodicities have the same structure, as observed in the experiment. The theory predicts also the structure of intermediate phases with longer periods that have not been studied experimentally so far. The structures of intermediate phases with periodicities of up to nine layers are presented together with the phase diagrams, and a relationship between molecular chirality and the three-dimensional structure of intermediate phases is discussed. It is considered also how the coupling between the spontaneous polarization determined by molecular chirality and the induced polarization determined by the discrete flexoelectric effect stabilizes the nonplanar structure of intermediate phases.

How many molecular layers of polar solvent molecules control chemistry? The concept of compensating dipoles.

PubMed

Langhals, Heinz; Braun, Patricia; Dietl, Christian; Mayer, Peter

2013-09-27

The extension of the solvent influence of the shell into the volume of a polar medium was examined by means of anti-collinear dipoles on the basis of the E(T)(30) solvent polarity scale (i.e., the molar energy of excitation of a pyridinium-N-phenolatebetaine dye; generally: E(T) =28,591 nm kcal mol(-1)/λmax) where no compensation effects were found. As a consequence, solvent polarity effects are concentrated to a very thin layer of a few thousand picometres around the solute where extensions into the bulk solvent become unimportant. A parallelism to the thin surface layer of water to the gas phase is discussed. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Adhesion and interfacial fracture toughness between hard and soft materials

NASA Astrophysics Data System (ADS)

Rahbar, Nima; Wolf, Kurt; Orana, Argjenta; Fennimore, Roy; Zong, Zong; Meng, Juan; Papandreou, George; Maryanoff, Cynthia; Soboyejo, Wole

2008-11-01

This paper presents the results of a combined experimental and theoretical study of adhesion between hard and soft layers that are relevant to medical devices such as drug-eluting stents and semiconductor applications. Brazil disk specimens were used to measure the interfacial fracture energies between model parylene C and 316L stainless steel over a wide range of mode mixities. The trends in the overall fracture energies are predicted using a combination of adhesion theories and fracture mechanics concepts. The measured interfacial fracture energies are shown to be in good agreement with the predictions.

The sound field of a rotating dipole in a plug flow.

PubMed

Wang, Zhao-Huan; Belyaev, Ivan V; Zhang, Xiao-Zheng; Bi, Chuan-Xing; Faranosov, Georgy A; Dowell, Earl H

2018-04-01

An analytical far field solution for a rotating point dipole source in a plug flow is derived. The shear layer of the jet is modelled as an infinitely thin cylindrical vortex sheet and the far field integral is calculated by the stationary phase method. Four numerical tests are performed to validate the derived solution as well as to assess the effects of sound refraction from the shear layer. First, the calculated results using the derived formulations are compared with the known solution for a rotating dipole in a uniform flow to validate the present model in this fundamental test case. After that, the effects of sound refraction for different rotating dipole sources in the plug flow are assessed. Then the refraction effects on different frequency components of the signal at the observer position, as well as the effects of the motion of the source and of the type of source are considered. Finally, the effect of different sound speeds and densities outside and inside the plug flow is investigated. The solution obtained may be of particular interest for propeller and rotor noise measurements in open jet anechoic wind tunnels.

Intermolecular and interfacial forces: Elucidating molecular mechanisms using chemical force microscopy

NASA Astrophysics Data System (ADS)

Ashby, Paul David

Investigation into the origin of forces dates to the early Greeks. Yet, only in recent decades have techniques for elucidating the molecular origin of forces been developed. Specifically, Chemical Force Microscopy uses the high precision and nanometer scale probe of Atomic Force Microscopy to measure molecular and interfacial interactions. This thesis presents the development of many novel Chemical Force Microscopy techniques for measuring equilibrium and time-dependant force profiles of molecular interactions, which led to a greater understanding of the origin of interfacial forces in solution. In chapter 2, Magnetic Feedback Chemical Force Microscopy stiffens the cantilever for measuring force profiles between self-assembled monolayer (SAM) surfaces. Hydroxyl and carboxyl terminated SAMs produce long-range interactions that extend one or three nanometers into the solvent, respectively. In chapter 3, an ultra low noise AFM is produced through multiple modifications to the optical deflection detection system and signal processing electronics. In chapter 4, Brownian Force Profile Reconstruction is developed for accurate measurement of steep attractive interactions. Molecular ordering is observed for OMCTS, 1-nonanol, and water near flat surfaces. The molecular ordering of the solvent produces structural or solvation forces, providing insight into the orientation and possible solidification of the confined solvent. Seven molecular layers of OMCTS are observed but the oil remains fluid to the last layer. 1-nonanol strongly orders near the surface and becomes quasi-crystalline with four layers. Water is oriented by the surface and symmetry requires two layers of water (3.7 A) to be removed simultaneously. In chapter 5, electronic control of the cantilever Q (Q-control) is used to obtain the highest imaging sensitivity. In chapter 6, Energy Dissipation Chemical Force Microscopy is developed to investigate the time dependence and dissipative characteristics of SAM interfacial interactions in solution. Long-range adhesive forces for hydroxyl and carboxyl terminated SAM surfaces arise from solvent, not ionic, interactions. Exclusion of the solvent and contact between the SAM surfaces leads to rearrangement of the SAM headgroups. The isolation of the chemical and physical interfacial properties from the topography by Energy Dissipation Chemical Force Microscopy produces a new quantitative high-sensitivity imaging mode.

Growth of Interfacial Intermetallic Compound Layer in Diffusion-Bonded SAC-Cu Solder Joints During Different Types of Thermomechanical Excursion

NASA Astrophysics Data System (ADS)

Kanjilal, Anwesha; Kumar, Praveen

2018-01-01

The effects of mechanical strain on the growth kinetics of interfacial intermetallic compounds (IMCs) sandwiched between Cu substrate and Sn-1.0 wt.%Ag-0.5 wt.%Cu (SAC105) solder have been investigated. Isothermal aging (IA) at 70°C and 125°C, and thermal cycling (TC) as well as thermomechanical cycling (TMC) with shear strain of 12.8% per cycle between -25°C and 125°C were applied to diffusion-bonded solder joints to study the growth behavior of the interfacial IMC layer under various types of thermomechanical excursion (TME). The microstructure of the solder joint tested under each TME was observed at regular intervals. It was observed that the growth rate of the IMC layer was higher in the case of TMC compared with TC or IA. This increased growth rate of the IMC layer in the presence of mechanical strain suggests an additional driving force that enhances the growth kinetics of the IMC. Finite element analysis was performed to gain insight into the effect of TC and TMC on the stress field in the solder joint, especially near the interface between the solder and the substrate. Finally, an analytical model was developed to quantify the effect of strain on the effective diffusivity and express the growth kinetics for all three types of TME using a single expression.

Photovoltaic response and values of state dipole moments in single-layered pyrazoloquinoline/polymer composites

NASA Astrophysics Data System (ADS)

Gondek, E.; Kityk, I. V.; Danel, A.; Sanetra, J.

2008-06-01

We report the photovoltaic response of composite films formed by polymer transport matrices poly(3-octylthiophene) (P3OT) and poly(3-decylthiophene) (PDT) with incorporated 1 H-pyrazolo[3,4- b]quinoline (PAQ) chromophore (see the first figure). The photovoltage (PV) data were obtained for different substituted PAQ possessing different state dipole moments. The photovoltaic cells were formed between ITO and aluminum electrodes. We found that the PV signal of polymer/PAQ substantially depends on the state dipole moments of the pyrazoloquinoline chromophore. This fact indicates on a possibility of significant enhancement of PV efficiency by appropriate variations of the state dipole moments of chromophore. This results in photoinduced electron transfer from polymer serving as donors to PAQ being the electron acceptor. Despite an efficiency of the PV devices is below 1%, however, it may be substantially enhanced in future varying the chromophore state dipole moments appropriately.

Photovoltaic response and values of state dipole moments in single-layered pyrazoloquinoline/polymer composites.

PubMed

Gondek, E; Kityk, I V; Danel, A; Sanetra, J

2008-06-01

We report the photovoltaic response of composite films formed by polymer transport matrices poly(3-octylthiophene) (P3OT) and poly(3-decylthiophene) (PDT) with incorporated 1H-pyrazolo[3,4-b]quinoline (PAQ) chromophore (see the first figure). The photovoltage (PV) data were obtained for different substituted PAQ possessing different state dipole moments. The photovoltaic cells were formed between ITO and aluminum electrodes. We found that the PV signal of polymer/PAQ substantially depends on the state dipole moments of the pyrazoloquinoline chromophore. This fact indicates on a possibility of significant enhancement of PV efficiency by appropriate variations of the state dipole moments of chromophore. This results in photoinduced electron transfer from polymer serving as donors to PAQ being the electron acceptor. Despite an efficiency of the PV devices is below 1%, however, it may be substantially enhanced in future varying the chromophore state dipole moments appropriately.

A comparison of corn fiber gum, hydrophobically modified starch, gum arabic and soybean soluble polysaccharide: interfacial dynamics, viscoelastic response at oil/water interfaces and emulsion stabilization mechanisms

USDA-ARS?s Scientific Manuscript database

The interfacial rheology of polysaccharide adsorption layers of corn fiber gum (CFG), octenyl succinate anhydride-modified starch (OSA-s), gum arabic (GA) and soybean soluble polysaccharides (SSPS) at the oil/water interface and their emulsifying properties in oil-in-water (O/W) emulsions were compa...

Trap-assisted hole injection and quantum efficiency enhancement in poly(9,9' dioctylfluorene-alt-benzothiadiazole) polymer light-emitting diodes

NASA Astrophysics Data System (ADS)

Seeley, Alexander J. A. B.; Friend, Richard H.; Kim, Ji-Seon; Burroughes, Jeremy H.

2004-12-01

We report a reversible many-fold quantum efficiency enhancement during electrical driving of polymer light-emitting diodes (LEDs) containing poly(9,9' dioctylfluorene-alt-benzothiadiazole) (F8BT), developing over several minutes or hours at low applied bias and recovering on similar time scales after driving. This phenomenon is observed only in devices containing F8BT as an emissive layer in pure or blended form, regardless of anode and cathode choices and even in the absence of a poly(styrene-sulphonate)-doped poly(3,4-ethylene-dioxythiophene) (PEDOT:PSS) layer. We report detailed investigations using a standardized device structure containing PEDOT:PSS and a calcium cathode. Direct measurements of trapped charge recovered from the device after driving significantly exceed the unipolar limit, and thermally activated relaxation suggests a maximum trap depth around 0.6eV. Neither photoluminescence nor electroluminescence spectra reveal any change in the bulk optoelectronic properties of the emissive polymer nor any new emissive species. During the quantum efficiency (QE) enhancement process, the bulk conduction of the device increases. Reverse bias treatment of the device significantly reinforces the QE enhancement. Based on these observations, we propose a simple model in which interfacial dipoles are generated by trapped holes near the anode combining with injected electrons, to produce a narrow tunneling barrier for easy hole injection. The new injection pathway leads to a higher hole current density and thus a better charge injection balance. This produces the relatively high quantum efficiency observed in all F8BT LEDs.

Potential barrier heights at metal on oxygen-terminated diamond interfaces

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

Muret, P., E-mail: pierre.muret@neel.cnrs.fr; Traoré, A.; Maréchal, A.

2015-11-28

Electrical properties of metal-semiconductor (M/SC) and metal/oxide/SC structures built with Zr or ZrO{sub 2} deposited on oxygen-terminated surfaces of (001)-oriented diamond films, comprised of a stack of lightly p-doped diamond on a heavily doped layer itself homoepitaxially grown on an Ib substrate, are investigated experimentally and compared to different models. In Schottky barrier diodes, the interfacial oxide layer evidenced by high resolution transmission electron microscopy and electron energy losses spectroscopy before and after annealing, and barrier height inhomogeneities accounts for the measured electrical characteristics until flat bands are reached, in accordance with a model which generalizes that by Tung [Phys.more » Rev. B 45, 13509 (1992)] and permits to extract physically meaningful parameters of the three kinds of interface: (a) unannealed ones, (b) annealed at 350 °C, (c) annealed at 450 °C with the characteristic barrier heights of 2.2–2.5 V in case (a) while as low as 0.96 V in case (c). Possible models of potential barriers for several metals deposited on well defined oxygen-terminated diamond surfaces are discussed and compared to experimental data. It is concluded that interface dipoles of several kinds present at these compound interfaces and their chemical evolution due to annealing are the suitable ingredients that are able to account for the Mott-Schottky behavior when the effect of the metal work function is ignored, and to justify the reverted slope observed regarding metal work function, in contrast to the trend always reported for all other metal-semiconductor interfaces.« less

Oxide-organic heterostructures: a case study of charge transfer disturbance at a SnO2-copper phthalocyanine buried interface.

PubMed

Krzywiecki, Maciej; Grządziel, Lucyna; Powroźnik, Paulina; Kwoka, Monika; Rechmann, Julian; Erbe, Andreas

2018-06-13

Reduced tin dioxide/copper phthalocyanine (SnOx/CuPc) heterojunctions recently gained much attention in hybrid electronics due to their defect structure, allowing tuning of the electronic properties at the interface towards particular needs. In this work, we focus on the creation and analysis of the interface between the oxide and organic layer. The inorganic/organic heterojunction was created by depositing CuPc on SnOx layers prepared with the rheotaxial growth and vacuum oxidation (RGVO) method. Exploiting surface sensitive photoelectron spectroscopy techniques, angle dependent X-ray and UV photoelectron spectroscopy (ADXPS and UPS, respectively), supported by semi-empirical simulations, the role of carbon from adventitious organic adsorbates directly at the SnOx/CuPc interface was investigated. The adventitious organic adsorbates were blocking electronic interactions between the environment and surface, hence pinning energy levels. A significant interface dipole of 0.4 eV was detected, compensating for the difference in work functions of the materials in contact, however, without full alignment of the energy levels. From the ADXPS and UPS results, a detailed diagram of the interfacial electronic structure was constructed, giving insight into how to tailor SnOx/CuPc heterojunctions towards specific applications. On the one hand, parasitic surface contamination could be utilized in technology for passivation-like processes. On the other hand, if one needs to keep the oxide's surficial interactions fully accessible, like in the case of stacked electronic systems or gas sensor applications, carbon contamination must be carefully avoided at each processing step.

Exchange field and Hc dependence on the ferromagnetic material in exchange couples with CoO (abstract)

NASA Astrophysics Data System (ADS)

Takano, Kentaro; Berkowitz, A. E.

1997-04-01

As recording density increases, magnetoresistive (MR) sensors are becoming increasingly important in read heads. NixCo(1-x)O is receiving technological attention for biasing magnetoresistive sensors as a robust alternative to FeMn. The interfacial exchange coupling between a ferromagnetic (FM) layer and an antiferromagnetic (AFM) is observed as an exchange field and an enhanced coercive field of the FM layer. The AFM/FM coupling is sensitive to the interfacial structure and the AFM and FM magnetic parameters. In this work, we deposited various FM layers on similar 300 Å CoO base layers to study the dependence of the FM exchange integral parameter J on the exchange HE and coercive HC fields. CoO was selected as the AFM material because (i) its simple spin and crystal structures facilitate the structural characterization and modeling of its magnetic properties, and (ii) it's modest Néel temperature of 300 K facilitates the use of a superconducting quantum interference device for the magnetic measurements at temperatures ranging from 5 to 400 K. The 300 Å CoO films were reactively sputtered on silicon substrates and capped with various 300 Å FM films, Ni, Co, Fe, and permalloy (Ni81Fe19). The 300 Å CoO base layer films were polycrystalline with columnar grains. The CoO deposition conditions were reproduced to ensure similar structural and magnetic interfacial AF environments. The observed HE temperature dependence cannot be explained by current theoretical models. The temperature dependence of the exchange fields have the common features (i) a blocking temperature Tb=300 K, which corresponds to the bulk Néel temperature of CoO, (ii) a rise in the exchange field with decreasing temperature, (iii) an intermediate temperature region of constant HE (plateau value), and (iv) a second region of linearly increasing HE with decreasing temperatures down to 0 K. The plateau value of the HE decreased inversely with increasing FM magnetization as predicted by theory. The low-temperature increase of HE is more significant in the FM with higher exchange integral J values. The crossover temperature from the plateau to the low-temperature rise in HE appears to be dependent on FM's J value. The increase in the interfacial coupling strength could suggest the magnetic ordering of a secondary phase localized at the interfacial atoms. The temperature dependence of HC enhancement does not share the nonlinear temperature behavior of HE. For T<300 K, HC increases linearly with decreasing temperatures down to 10 K. Although the HC enhancement may have magnetoelastic contributions, the disappearance of the linear enhancement at 300 K, the Néel temperature of CoO, indicates that the dominant mechanism is the interfacial magnetic coupling.

Interface Engineering for Atomic Layer Deposited Alumina Gate Dielectric on SiGe Substrates.

PubMed

Zhang, Liangliang; Guo, Yuzheng; Hassan, Vinayak Vishwanath; Tang, Kechao; Foad, Majeed A; Woicik, Joseph C; Pianetta, Piero; Robertson, John; McIntyre, Paul C

2016-07-27

Optimization of the interface between high-k dielectrics and SiGe substrates is a challenging topic due to the complexity arising from the coexistence of Si and Ge interfacial oxides. Defective high-k/SiGe interfaces limit future applications of SiGe as a channel material for electronic devices. In this paper, we identify the surface layer structure of as-received SiGe and Al2O3/SiGe structures based on soft and hard X-ray photoelectron spectroscopy. As-received SiGe substrates have native SiOx/GeOx surface layers, where the GeOx-rich layer is beneath a SiOx-rich surface. Silicon oxide regrows on the SiGe surface during Al2O3 atomic layer deposition, and both SiOx and GeOx regrow during forming gas anneal in the presence of a Pt gate metal. The resulting mixed SiOx-GeOx interface layer causes large interface trap densities (Dit) due to distorted Ge-O bonds across the interface. In contrast, we observe that oxygen-scavenging Al top gates decompose the underlying SiOx/GeOx, in a selective fashion, leaving an ultrathin SiOx interfacial layer that exhibits dramatically reduced Dit.

Probing nonlinear rheology layer-by-layer in interfacial hydration water.

PubMed

Kim, Bongsu; Kwon, Soyoung; Lee, Manhee; Kim, Q Hwan; An, Sangmin; Jhe, Wonho

2015-12-22

Viscoelastic fluids exhibit rheological nonlinearity at a high shear rate. Although typical nonlinear effects, shear thinning and shear thickening, have been usually understood by variation of intrinsic quantities such as viscosity, one still requires a better understanding of the microscopic origins, currently under debate, especially on the shear-thickening mechanism. We present accurate measurements of shear stress in the bound hydration water layer using noncontact dynamic force microscopy. We find shear thickening occurs above ∼ 10(6) s(-1) shear rate beyond 0.3-nm layer thickness, which is attributed to the nonviscous, elasticity-associated fluidic instability via fluctuation correlation. Such a nonlinear fluidic transition is observed due to the long relaxation time (∼ 10(-6) s) of water available in the nanoconfined hydration layer, which indicates the onset of elastic turbulence at nanoscale, elucidating the interplay between relaxation and shear motion, which also indicates the onset of elastic turbulence at nanoscale above a universal shear velocity of ∼ 1 mm/s. This extensive layer-by-layer control paves the way for fundamental studies of nonlinear nanorheology and nanoscale hydrodynamics, as well as provides novel insights on viscoelastic dynamics of interfacial water.

Significant role of antiferromagnetic GdFeO3 on multiferroism of bilayer thin films

NASA Astrophysics Data System (ADS)

Shah, Jyoti; Bhatt, Priyanka; Dayas, K. Diana Diana; Kotnala, R. K.

2018-02-01

Inversion of BaTiO3 and GdFeO3 thin films in bilayer configuration has been deposited by pulsed laser deposition technique. A significant effect of strain on thin film has been observed by X-ray diffraction analysis. Tensile strain of 1.04% and 0.23% has been calculated by X-ray diffraction results. Higher polarization value 70.4 μC cm-2 has been observed by strained BaTiO3 film in GdFeO3/BaTiO3 bilayer film. Strained GdFeO3 film in BaTiO3/GdFeO3 bilayer configuration exhibited ferromagnetic behaviour showed maximum magnetization value of 50 emu gm-1. Magnetoelectric coupling coefficient of bilayer films have been carried out by dynamic method. Room temperature magnetoelectric coupling 2500 mV cm-1-Oe has been obtained for BaTiO3/GdFeO3 bilayer film. The high ME coupling of the BaTiO3/GdFeO3 bilayer film reveals strong interfacial coupling between ferroelectric and ferromagnetic dipoles. On magnetoelectric coupling coefficient effect of ferromagnetic GdFeO3 layer has a significant role. Such high value of ME coupling may be useful in realization of magnetoelectric RAM (MeRAM) application.

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain

DOE PAGES

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; ...

2016-06-13

Two-dimensional (2D) nanostructures emerge as one of leading topics in fundamental materials science and could enable next generation nanoelectronic devices. Beyond graphene and molybdenum disulphide, layered complex oxides are another large group of promising 2D candidates because of their strong interplay of intrinsic charge, spin, orbital and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials exhibiting new phenomena beyond their conventional form. Here we report the strain-driven self-assembly of Bismuth-based supercells (SC) with a 2D layered structure, and elucidate the fundamental growth mechanism with combined experimental tools and first-principles calculations.more » The study revealed that the new layered structures were formed by the strain-enabled self-assembled atomic layer stacking, i.e., alternative growth of Bi 2O 2 layer and [Fe 0.5Mn 0.5]O 6 layer. The strain-driven approach is further demonstrated in other SC candidate systems with promising room-temperature multiferroic properties. This well-integrated theoretical and experimental study inspired by the Materials Genome Initiatives opens up a new avenue in searching and designing novel 2D layered complex oxides with enormous promises.« less

Multiple Concentric Cylinder Model (MCCM) user's guide

NASA Technical Reports Server (NTRS)

Williams, Todd O.; Pindera, Marek-Jerzy

1994-01-01

A user's guide for the computer program mccm.f is presented. The program is based on a recently developed solution methodology for the inelastic response of an arbitrarily layered, concentric cylinder assemblage under thermomechanical loading which is used to model the axisymmetric behavior of unidirectional metal matrix composites in the presence of various microstructural details. These details include the layered morphology of certain types of ceramic fibers, as well as multiple fiber/matrix interfacial layers recently proposed as a means of reducing fabrication-induced, and in-service, residual stress. The computer code allows efficient characterization and evaluation of new fibers and/or new coating systems on existing fibers with a minimum of effort, taking into account inelastic and temperature-dependent properties and different morphologies of the fiber and the interfacial region. It also facilitates efficient design of engineered interfaces for unidirectional metal matrix composites.

Probing the dielectric response of the interfacial buffer layer in epitaxial graphene via optical spectroscopy

NASA Astrophysics Data System (ADS)

Hill, Heather M.; Rigosi, Albert F.; Chowdhury, Sugata; Yang, Yanfei; Nguyen, Nhan V.; Tavazza, Francesca; Elmquist, Randolph E.; Newell, David B.; Hight Walker, Angela R.

2017-11-01

Monolayer epitaxial graphene (EG) is a suitable candidate for a variety of electronic applications. One advantage of EG growth on the Si face of SiC is that it develops as a single crystal, as does the layer below, referred to as the interfacial buffer layer (IBL), whose properties include an electronic band gap. Although much research has been conducted to learn about the electrical properties of the IBL, not nearly as much work has been reported on the optical properties of the IBL. In this work, we combine measurements from Mueller matrix ellipsometry, differential reflectance contrast, atomic force microscopy, and Raman spectroscopy, as well as calculations from Kramers-Kronig analyses and density-functional theory, to determine the dielectric function of the IBL within the energy range of 1 eV to 8.5 eV.

Spontaneous nano-gap formation in Ag film using NaCl sacrificial layer for Raman enhancement

NASA Astrophysics Data System (ADS)

Min, Kyungchan; Jeon, Wook Jin; Kim, Youngho; Choi, Jae-Young; Yu, Hak Ki

2018-03-01

We report the method of fabrication of nano-gaps (known as hot spots) in Ag thin film using a sodium chloride (NaCl) sacrificial layer for Raman enhancement. The Ag thin film (20-50 nm) on the NaCl sacrificial layer undergoes an interfacial reaction due to the AgCl formed at the interface during water molecule intercalation. The intercalated water molecules can dissolve the NaCl molecules at interfaces and form the ionic state of Na+ and Cl-, promoting the AgCl formation. The Ag atoms can migrate by the driving force of this interfacial reaction, resulting in the formation of nano-size gaps in the film. The surface-enhanced Raman scattering activity of Ag films with nano-size gaps has been investigated using Raman reporter molecules, Rhodamine 6G (R6G).

Enhancing Efficiency of Perovskite Solar Cells via Surface Passivation with Graphene Oxide Interlayer.

PubMed

Li, Hao; Tao, Leiming; Huang, Feihong; Sun, Qiang; Zhao, Xiaojuan; Han, Junbo; Shen, Yan; Wang, Mingkui

2017-11-08

Perovskite solar cells have been demonstrated as promising low-cost and highly efficient next-generation solar cells. Enhancing V OC by minimization the interfacial recombination kinetics can further improve device performance. In this work, we for the first time reported on surface passivation of perovskite layers with chemical modified graphene oxides, which act as efficient interlayer to reduce interfacial recombination and enhance hole extraction as well. Our modeling points out that the passivation effect mainly comes from the interaction between functional group (4-fluorophenyl) and under-coordinated Pb ions. The resulting perovskite solar cells achieved high efficient power conversion efficiency of 18.75% with enhanced high open circuit V OC of 1.11 V. Ultrafast spectroscopy, photovoltage/photocurrent transient decay, and electronic impedance spectroscopy characterizations reveal the effective passivation effect and the energy loss mechanism. This work sheds light on the importance of interfacial engineering on the surface of perovskite layers and provides possible ways to improve device efficiency.

Application of α-amylase as a novel biodemulsifier for destabilizing amphiphilic polymer-flooding produced liquid treatment.

PubMed

Jiang, Jiatong; Wu, Hairong; Lu, Yao; Ma, Tao; Li, Zhe; Xu, Derong; Kang, Wanli; Bai, Baojun

2018-07-01

The performance and de-emulsification mechanism of α-amylase, a novel environmental friendly biodemulsifier in petroleum industry, was investigated at room temperature. The effects of α-amylase on the viscosity of amphiphilic polymer solution and de-emulsification rate were studied by changing the concentration of α-amylase, temperature and salinity. Polymer molecular weight, Zeta potential, interfacial film strength and interfacial tension were measured to investigate the de-emulsification mechanism of α-amylase. The results show that α-amylase is an efficient biodemulsifier to increase the de-emulsification rate of amphiphilic polymer emulsions. Hydrolysis of α-amylase to amphiphilic polymers destroys the structure of the amphiphilic polymer, thereby reduces the viscosity and the interfacial film strength of the system. Once de-emulsification is completed, the lower layer, i.e. the emulsified layer, will be clear. Thus, α-amylase can be applied as an effective de-emulsifier for amphiphilic polymer-stabilized O/W emulsion. Copyright © 2018 Elsevier Ltd. All rights reserved.

Interfacial oxygen migration and its effect on the magnetic anisotropy in Pt/Co/MgO/Pt films

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

Chen, Xi; Feng, Chun, E-mail: fengchun@ustb.edu.cn, E-mail: ghyu@mater.ustb.edu.cn; Liu, Yang

2014-02-03

This paper reports the interfacial oxygen migration effect and its induced magnetic anisotropy evolution in Pt/Co/MgO/Pt films. During depositing the MgO layer, oxygen atoms from the MgO combine with the neighboring Co atoms, leading to the formation of CoO at the Co/MgO interface. Meanwhile, the films show in-plane magnetic anisotropy (IMA). After annealing, most of the oxygen atoms in CoO migrate back to the MgO layer, resulting in obvious improvement of Co/MgO interface and the enhancement of effective Co-O orbital hybridization. These favor the evolution of magnetic anisotropy from IMA to perpendicular magnetic anisotropy (PMA). The oxygen migration effect ismore » achieved by the redox reaction at the Co/MgO interface. On the contrary, the transfer from IMA to PMA cannot be observed in Pt/Co/Pt films due to the lack of interfacial oxygen migration.« less

Controllable positive exchange bias via redox-driven oxygen migration

DOE PAGES

Gilbert, Dustin A.; Olamit, Justin; Dumas, Randy K.; ...

2016-03-21

We report that ionic transport in metal/oxide heterostructures offers a highly effective means to tailor material properties via modification of the interfacial characteristics. However, direct observation of ionic motion under buried interfaces and demonstration of its correlation with physical properties has been challenging. Using the strong oxygen affinity of gadolinium, we design a model system of Gd xFe 1-x/NiCoO bilayer films, where the oxygen migration is observed and manifested in a controlled positive exchange bias over a relatively small cooling field range. The exchange bias characteristics are shown to be the result of an interfacial layer of elemental nickel andmore » cobalt, a few nanometres in thickness, whose moments are larger than expected from uncompensated NiCoO moments. This interface layer is attributed to a redox-driven oxygen migration from NiCoO to the gadolinium, during growth or soon after. Ultimately, these results demonstrate an effective path to tailoring the interfacial characteristics and interlayer exchange coupling in metal/oxide heterostructures.« less

Performance assessment of polymer based electrodes for in vitro electrophysiological sensing: the role of the electrode impedance

NASA Astrophysics Data System (ADS)

Medeiros, Maria C. R.; Mestre, Ana L. G.; Inácio, Pedro M. C.; Santos, José M. L.; Araujo, Inês M.; Bragança, José; Biscarini, Fabio; Gomes, Henrique L.

2016-09-01

Conducting polymer electrodes based on poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) are used to record extracellular signals from autonomous cardiac contractile cells and glioma cell cultures. The performance of these conducting polymer electrodes is compared with Au electrodes. A small-signal impedance analysis shows that in the presence of an electrolyte, both Au and polymer electrodes establish high capacitive double-layers. However, the polymer/electrolyte interfacial resistance is 3 orders of magnitude lower than the resistance of the metal/electrolyte interface. The polymer low interfacial resistance minimizes the intrinsic thermal noise and increases the system sensitivity. However, when measurements are carried out in current mode a low interfacial resistance partially acts as a short circuit of the interfacial capacitance, this affects the signal shape.

Effect of Preferential Orientation of Lamellae in the Interfacial Region between a Block Copolymer-based Pressure-Sensitive Adhesive and a Solid Substrate on the Peel Strength.

PubMed

Shimokita, Keisuke; Saito, Itsuki; Yamamoto, Katsuhiro; Takenaka, Mikihito; Yamada, Norifumi L; Miyazaki, Tsukasa

2018-02-27

We have investigated the relationship between the peel strength of a block copolymer-based pressure-sensitive adhesive comprising of poly(methyl methacrylate) (PMMA) and poly(n-butyl acrylate) (PnBA) components from the substrate and the microdomain orientations in the interfacial region between the adhesive and the substrate. For the PMMA substrate, the PMMA component in the adhesive with a strong affinity for the substrate is attached to the surface of the substrate during an aging process of the sample at 140 °C. Next, the PMMA layer adjacent to the substrate surface is overlaid with a PnBA layer, which gets covalently connected, resulting in the horizontal alignment of the lamellae in the interfacial region. The peel strength of the adhesive substantially increases during aging at 140 °C, which takes the same time as the completion of the horizontally oriented lamellar structure. However, in the case of the polystyrene (PS) substrate, both the components in the adhesive repel the substrate, leading to the formation of the vertically oriented lamellar structure. As a result, the peel strength of the adhesive with respect to its PS substrate does not entirely increase on aging. It is suggested that the peel strength of the adhesive is highly correlated with the interfacial energy between the adhesive and substrate, which can be estimated from the microdomain orientation in the interfacial region.

Salting out the polar polymorph: analysis by alchemical solvent transformation.

PubMed

Duff, Nathan; Dahal, Yuba Raj; Schmit, Jeremy D; Peters, Baron

2014-01-07

We computationally examine how adding NaCl to an aqueous solution with α- and γ-glycine nuclei alters the structure and interfacial energy of the nuclei. The polar γ-glycine nucleus in pure aqueous solution develops a melted layer of amorphous glycine around the nucleus. When NaCl is added, a double layer is formed that stabilizes the polar glycine polymorph and eliminates the surface melted layer. In contrast, the non-polar α-glycine nucleus is largely unaffected by the addition of NaCl. To quantify the stabilizing effect of NaCl on γ-glycine nuclei, we alchemically transform the aqueous glycine solution into a brine solution of glycine. The alchemical transformation is performed both with and without a nucleus in solution and for nuclei of α-glycine and γ-glycine polymorphs. The calculations show that adding 80 mg/ml NaCl reduces the interfacial free energy of a γ-glycine nucleus by 7.7 mJ/m(2) and increases the interfacial free energy of an α-glycine nucleus by 3.1 mJ/m(2). Both results are consistent with experimental reports on nucleation rates which suggest: J(α, brine) < J(γ, brine) < J(α, water). For γ-glycine nuclei, Debye-Hückel theory qualitatively, but not quantitatively, captures the effect of salt addition. Only the alchemical solvent transformation approach can predict the results for both polar and non-polar polymorphs. The results suggest a general "salting out" strategy for obtaining polar polymorphs and also a general approach to computationally estimate the effects of solvent additives on interfacial free energies for nucleation.

Effect of Ni-P Plating Temperature on Growth of Interfacial Intermetallic Compound in Electroless Nickel Immersion Gold/Sn-Ag-Cu Solder Joints

NASA Astrophysics Data System (ADS)

Seo, Wonil; Kim, Kyoung-Ho; Kim, Young-Ho; Yoo, Sehoon

2018-01-01

The growth of interfacial intermetallic compound and the brittle fracture behavior of Sn-3.0Ag-0.5-Cu solder (SAC305) joints on electroless nickel immersion gold (ENIG) surface finish have been investigated using Ni-P plating solution at temperatures from 75°C to 85°C and fixed pH of 4.5. SAC305 solder balls with diameter of 450 μm were mounted on the prepared ENIG-finished Cu pads and reflowed with peak temperature of 250°C. The interfacial intermetallic compound (IMC) thickness after reflow decreased with increasing Ni-P plating temperature. After 800 h of thermal aging, the IMC thickness of the sample prepared at 85°C was higher than for that prepared at 75°C. Scanning electron microscopy of the Ni-P surface after removal of the Au layer revealed a nodular structure on the Ni-P surface. The nodule size of the Ni-P decreased with increasing Ni-P plating temperature. The Cu content near the IMC layer increased to 0.6 wt.%, higher than the original Cu content of 0.5 wt.%, indicating that Cu diffused from the Cu pad to the solder ball through the Ni-P layer at a rate depending on the nodule size. The sample prepared at 75°C with thicker interfacial IMC showed greater high-speed shear strength than the sample prepared at 85°C. Brittle fracture increased with decreasing Ni-P plating temperature.

Ionic Liquids as the MOFs/Polymer Interfacial Binder for Efficient Membrane Separation.

PubMed

Lin, Rijia; Ge, Lei; Diao, Hui; Rudolph, Victor; Zhu, Zhonghua

2016-11-23

Obtaining strong interfacial affinity between filler and polymer is critical to the preparation of mixed matrix membranes (MMMs) with high separation efficiency. However, it is still a challenge for micron-sized metal organic frameworks (MOFs) to achieve excellent compatibility and defect-free interface with polymer matrix. Thin layer of ionic liquid (IL) was immobilized on micron-sized HKUST-1 to eliminate the interfacial nonselective voids in MMMs with minimized free ionic liquid (IL) in polymer matrix, and then the obtained IL decorated HKUST-1 was incorporated into 4,4'-(hexafluoroisopropylidene)diphthalic anhydride-2,3,5,6-tetramethyl-1,3-phenyldiamine (6FDA-Durene) to fabricate MMMs. Acting as a filler/polymer interfacial binder, the favorable MOF/IL and IL/polymer interaction can facilitate the enhancement of MOF/polymer affinity. Compared to MMM with only HKUST-1 incorporation, MMM with IL decorated HKUST-1 succeeded in restricting the formation of nonselective interfacial voids, leading to an increment in CO 2 selectivity. The IL decoration method can be an effective approach to eliminate interfacial voids in MMMs, extending the filler selection to a wide range of large-sized fillers.

Structural and dielectric properties of thin ZrO2 films on silicon grown by atomic layer deposition from cyclopentadienyl precursor

NASA Astrophysics Data System (ADS)

Niinistö, J.; Putkonen, M.; Niinistö, L.; Kukli, K.; Ritala, M.; Leskelä, M.

2004-01-01

ZrO2 thin films with thicknesses below 20 nm were deposited by the atomic layer deposition process on Si(100) substrates at 350 °C. An organometallic precursor, Cp2Zr(CH3)2 (Cp=cyclopentadienyl, C5H5) was used as the zirconium source and water or ozone as oxygen source. The influence of oxygen source and substrate pretreatment on the dielectric properties of ZrO2 films was investigated. Structural characterization with high-resolution transmission electron microscopy was performed to films grown onto HF-etched or native oxide covered silicon. Strong inhibition of ZrO2 film growth was observed with the water process on HF-etched Si. Ozone process on HF-etched Si resulted in interfacial SiO2 formation between the dense and uniform film and the substrate while water process produced interfacial layer with intermixing of SiO2 and ZrO2. The effective permittivity of ZrO2 in Al/ZrO2/Si/Al capacitor structures was dependent on the ZrO2 layer thickness and oxygen source used. The interfacial layer formation increased the capacitance equivalent oxide thickness (CET). CET of 2.0 nm was achieved with 5.9 nm ZrO2 film deposited with the H2O process on HF-stripped Si. The ozone-processed films showed good dielectric properties such as low hysteresis and nearly ideal flatband voltage. The leakage current density was lower and breakdown field higher for the ozone-processed ZrO2 films.

Steric and electrostatic surface forces on sulfonated PEG graft surfaces with selective albumin adsorption.

PubMed

Bremmell, Kristen E; Britcher, Leanne; Griesser, Hans J

2013-06-01

Addition of ionized terminal groups to PEG graft layers may cause additional interfacial forces to modulate the net interfacial interactions between PEG graft layers and proteins. In this study we investigated the effect of terminal sulfonate groups, characterizing PEG-aldehyde (PEG-CHO) and sulfonated PEG (PEG-SO3) graft layers by XPS and colloid probe AFM interaction force measurements as a function of ionic strength, in order to determine surface forces relevant to protein resistance and models of bio-interfacial interaction of such graft coatings. On the PEG-CHO surface the measured interaction force does not alter with ionic strength, typical of a repulsive steric barrier coating. An analogous repulsive interaction force of steric origin was also observed on the PEG-SO3 graft coating; however, the net interaction force changed with ionic strength. Interaction forces were modelled by steric and electrical double layer interaction theories, with fitting to a scaling theory model enabling determination of the spacing and stretching of the grafted chains. Albumin, fibrinogen, and lysozyme did not adsorb on the PEG-CHO coating, whereas the PEG graft with terminal sulfonate groups showed substantial adsorption of albumin but not fibrinogen or lysozyme from 0.15 M salt solutions. Under lower ionic strength conditions albumin adsorption was again minimized as a result of the increased electrical double-layer interaction observed with the PEG-SO3 modified surface. This unique and unexpected adsorption behaviour of albumin provides an alternative explanation to the "negative cilia" model used by others to rationalize observed thromboresistance on PEG-sulfonate coatings. Copyright © 2013 Elsevier B.V. All rights reserved.

Thickness dependence and the role of spin transfer torque in nonlinear giant magnetoresistance of permalloy dual spin valves

NASA Astrophysics Data System (ADS)

Banerjee, N.; Aziz, A.; Ali, M.; Robinson, J. W. A.; Hickey, B. J.; Blamire, M. G.

2010-12-01

The recent discovery of nonlinear current-dependent magnetoresistance in dual spin valve devices [A. Aziz, O. P. Wessely, M. Ali, D. M. Edwards, C. H. Marrows, B. J. Hickey, and M. G. Blamire, Phys. Rev. Lett. 103, 237203 (2009)10.1103/PhysRevLett.103.237203] opens up the possibility for distinct physics which extends the standard model of giant magnetoresistance. When the outer ferromagnetic layers of a dual spin valve are antiparallel, the resulting accumulation of spin in the middle ferromagnetic layer strongly modifies its bulk and interfacial spin asymmetry and resistance. Here, we report experimental evidence of the role of bulk spin accumulation in this nonlinear effect and show that interfacial spin accumulation alone cannot account for the observed dependence of the effect on the thickness of the middle ferromagnetic layer. It is also shown that spin torque acting on the middle ferromagnetic layer combined with the nonlinear effect might be useful in understanding the dynamical features associated with the nonlinear behavior.

Development of graphite/copper composites utilizing engineered interfaces. M.S. Thesis Final Report

NASA Technical Reports Server (NTRS)

Devincent, Sandra M.

1991-01-01

In situ measurements of graphite/copper alloy contact angles were made using the sessile drop method. The interfacial energy values obtained from these measurements were then applied to a model for the fiber matrix interfacial debonding phenomenon found in graphite/copper composites. The formation obtained from the sessile drop tests led to the development of a copper alloy that suitably wets graphite. Characterization of graphite/copper alloy interfaces subjected to elevated temperatures was conducted using Scanning Electron Microscopy, Energy Dispersive Spectroscopy, Auger Electron Spectroscopy, and X Ray Diffraction analyses. These analyses indicated that during sessile drop tests conducted at 1130 C for 1 hour, copper alloys containing greater than 0.98 at pct chromium form continuous reaction layers of approx. 10 microns in thickness. The reaction layers are adherent to the graphite surface. The copper wets the reaction layer to form a contact angle of 60 deg or less. X ray diffraction results indicate that the reaction layer is Cr3C2.

Organic-Inorganic Hybrid Interfacial Layer for High-Performance Planar Perovskite Solar Cells.

PubMed

Yang, Hao; Cong, Shan; Lou, Yanhui; Han, Liang; Zhao, Jie; Sun, Yinghui; Zou, Guifu

2017-09-20

4,7-Diphenyl-1,10-phenanthroline (Bphen) is an efficient electron transport and hole blocking material in organic photoelectric devices. Here, we report cesium carbonate (Cs 2 CO 3 ) doped Bphen as cathode interfacial layer in CH 3 NH 3 PbI 3-x Cl x based planar perovskite solar cells (PSCs). Investigation finds that introducing Cs 2 CO 3 suppresses the crystallization of Bphen and benefits a smooth interface contact between the perovskite and electrode, resulting in the decrease in carrier recombination and the perovskite degradation. In addition, the matching energy level of Bphen film in the PSCs effectively blocks the holes diffusion to cathode. The resultant power conversion efficiency (PCE) achieves as high as 17.03% in comparison with 12.67% of reference device without doping. Besides, experiments also demonstrate the stability of PSCs have large improvement because the suppressed crystallization of Bphen by doping Cs 2 CO 3 as a superior barrier layer blocks the Ag atom and surrounding moisture access to the vulnerable perovskite layer.

Interfacial micropore defect formation in PEDOT:PSS-Si hybrid solar cells probed by TOF-SIMS 3D chemical imaging.

PubMed

Thomas, Joseph P; Zhao, Liyan; Abd-Ellah, Marwa; Heinig, Nina F; Leung, K T

2013-07-16

Conducting p-type polymer layers on n-type Si have been widely studied for the fabrication of cost-effective hybrid solar cells. In this work, time-of-flight secondary ion mass spectrometry (TOF-SIMS) is used to provide three-dimensional chemical imaging of the interface between poly(3,4-ethylene-dioxythiophene):polystyrenesulfonate (PEDOT:PSS) and SiOx/Si in a hybrid solar cell. To minimize structural damage to the polymer layer, an Ar cluster sputtering source is used for depth profiling. The present result shows the formation of micropore defects in the interface region of the PEDOT:PSS layer on the SiOx/Si substrate. This interfacial micropore defect formation becomes more prominent with increasing thickness of the native oxide layer, which is a key device parameter that greatly affects the hybrid solar cell performance. Three-dimensional chemical imaging coupled with Ar cluster ion sputtering has therefore been demonstrated as an emerging technique for probing the interface of this and other polymer-inorganic systems.

Microstructures and Properties of 40Cu/Ag(Invar) Composites Fabricated by Powder Metallurgy and Subsequent Thermo-Mechanical Treatment

NASA Astrophysics Data System (ADS)

Zhang, Xin; Huang, Yingqiu; Liu, Xiangyu; Yang, Lei; Shi, Changdong; Wu, Yucheng; Tang, Wenming

2018-03-01

Composites of 40Cu/Ag(Invar) were prepared via pressureless sintering and subsequent thermo-mechanical treatment from raw materials of electroless Ag-plated Invar alloy powder and electrolytic Cu powder. Microstructures and properties of the prepared composites were studied to evaluate the effect of the Ag layer on blocking Cu/Invar interfacial diffusion in the composites. The electroless-plated Ag layer was dense, uniform, continuous, and bonded tightly with the Invar alloy substrate. During sintering of the composites, the Ag layer effectively prevented Cu/Invar interfacial diffusion. During cold-rolling, the Ag layer was deformed uniformly with the Invar alloy particles. The composites exhibited bi-continuous network structure and considerably improved properties. After sintering at 775 °C and subsequent thermo-mechanical treatment, the 40Cu/Ag(Invar) composites showed satisfactory comprehensive properties: relative density of 99.0 pct, hardness of HV 253, thermal conductivity of 55.7 W/(m K), and coefficient of thermal expansion of 11.2 × 10-6/K.

Growth and interfacial structure of methylammonium lead iodide thin films on Au(111)

NASA Astrophysics Data System (ADS)

She, Limin; Liu, Meizhuang; Li, Xiaoli; Cai, Zeying; Zhong, Dingyong

2017-02-01

Due to the promising optoelectronic properties, organic-inorganic hybrid perovskites have been intensively studied as the active layers in perovskite solar cells. However, the structural information about their interface, one of the key factors determining device performances, is so far very rare. Herein, we report on the growth of CH3NH3PbI3 (MAPbI3, MA=CH3NH3) thin films by means of vapor deposition under ultrahigh vacuum. The surface morphology and interfacial structure have been investigated by scanning tunneling microscopy. At the initial growth stage, a complicated transient phase consisting of three atomic layers, i.e., iodine, MA-PbI4 and MA-I, was formed on the Au(111) substrate. With the coverage increasing, atomically smooth MAPbI3 films with orthorhombic structure have been obtained after annealing to 373 K. The films followed a self-organized twofold-layer by twofold-layer growth mode with the formation of complete PbI6 octahedrons and the exposure of MA-I terminated (001) surface.

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

Donald, Scott B.; Siekhaus, Wigbert J.; Nelson, Art J.

X-ray photoelectron spectroscopy in combination with secondary ion mass spectrometry depth profiling were used to investigate the surface and interfacial chemistry of C + ion implanted polycrystalline uranium subsequently oxidized in air for over 10 years at ambient temperature. The original implantation of 33 keV C + ions into U 238 with a dose of 4.3 × 10 17 cm –3 produced a physically and chemically modified surface layer that was characterized and shown to initially prevent air oxidation and corrosion of the uranium after 1 year in air at ambient temperature. The aging of the surface and interfacial layersmore » were examined by using the chemical shift of the U 4f, C 1s, and O 1s photoelectron lines. In addition, valence band spectra were used to explore the electronic structure of the aged carbide surface and interface layer. Moreover, the time-of-flight secondary ion mass spectrometry depth profiling results for the aged sample confirmed an oxidized uranium carbide layer over the carbide layer/U metal interface.« less

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, A.; Sabirianov, R. F.; Mei, W. N.; Namavar, F.; Khoynezhad, A.

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach.

PubMed

Rubinstein, A; Sabirianov, R F; Mei, W N; Namavar, F; Khoynezhad, A

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Interaction between depolarization effects, interface layer, and fatigue behavior in PZT thin film capacitors

NASA Astrophysics Data System (ADS)

Böttger, U.; Waser, R.

2017-07-01

The existence of non-ferroelectric regions in ferroelectric thin films evokes depolarization effects leading to a tilt of the P(E) hysteresis loop. The analysis of measured hysteresis of lead zirconate titanate (PZT) thin films is used to determine a depolarization factor which contains quantitative information about interfacial layers as well as ferroelectrically passive zones in the bulk. The derived interfacial capacitance is smaller than that estimated from conventional extrapolation techniques. In addition, the concept of depolarization is used for the investigation of fatigue behavior of PZT thin films indicating that the mechanism of seed inhibition, which is responsible for the effect, occurs in the entire film.

Development of a 15 T Nb 3Sn accelerator dipole demonstrator at Fermilab

DOE PAGES

Novitski, I.; Andreev, N.; Barzi, E.; ...

2016-06-01

Here, a 100 TeV scale Hadron Collider (HC) with a nominal operation field of at least 15 T is being considered for the post-LHC era, which requires using the Nb 3Sn technology. Practical demonstration of this field level in an accelerator-quality magnet and substantial reduction of the magnet costs are the key conditions for realization of such a machine. FNAL has started the development of a 15 T Nb 3Sn dipole demonstrator for a 100 TeV scale HC. The magnet design is based on 4-layer shell type coils, graded between the inner and outer layers to maximize the performance andmore » reduce the cost. The experience gained during the Nb 3Sn magnet R&D is applied to different aspects of the magnet design. This paper describes the magnetic and structural designs and parameters of the 15 T Nb 3Sn dipole and the steps towards the demonstration model fabrication.« less

Interfacial thin films rupture and self-similarity

NASA Astrophysics Data System (ADS)

Ward, Margaret H.

2011-06-01

Two superposed thin layers of fluids are prone to interfacial instabilities due to London-van der Waals forces. Evolution equations for the film thicknesses are derived using lubrication theory. Using the intrinsic scales, for a single layer, results in a system with parametric dependence of four ratios of the two layers: surface tension, Hamaker constant, viscosity, and film thickness. In contrast to the single layer case, the bilayer system has two unstable eigenmodes: squeezing and bending. For some particular parameter regimes, the system exhibits the avoided crossing behavior, where the two eigenmodes are interchanged. Based on numerical analysis, the system evolves into four different rupture states: basal layer rupture, upper layer rupture, double layer rupture, and mixed layer rupture. The ratio of Hamaker constants and the relative film thickness of the two layers control the system dynamics. Remarkably, the line of avoided crossing demarks the transition region of mode mixing and energy transfer, affecting the scaling of the dynamical regime map consequentially. Asymptotic and numerical analyses are used to examine the self-similar ruptures and to extract the power law scalings for both the basal layer rupture and the upper layer rupture. The scaling laws for the basal layer rupture are the same as those of the single layer on top of a substrate. The scaling laws for the upper layer rupture are different: the lateral length scale decreases according to (tr-t)1/3 and the film thickness decreases according to (tr-t)1/6.

Ballistic vs. diffusive heat transfer across nanoscopic films of layered crystals

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

Shen, Meng; Keblinski, Pawel, E-mail: keblip@rpi.edu

2014-04-14

We use non-equilibrium molecular dynamics to study the heat transfer mechanism across sandwich interfacial structures of Si/n-atomic-layers/Si, with 1 ≤ n ≤ 20 and atomic layers composed of WSe{sub 2} and/or graphene. In the case of WSe{sub 2} sheets, we observe that the thermal resistance of the sandwich structure is increasing almost linearly with the number of WSe{sub 2} sheets, n, indicating a diffusive phonon transport mechanism. By contrast in the case of n graphene layers, the interfacial thermal resistance is more or less independent on the number of layers for 1 ≤ n ≤ 10, and is associated with ballistic phonon transport mechanism. We attribute the diffusivemore » heat transfer mechanism across WSe{sub 2} sheets to abundant low frequency and low group velocity optical modes that carry most of the heat across the interface. By contrast, in graphene, acoustic modes dominate the thermal transport across the interface and render a ballistic heat flow mechanism.« less

Nonlinear Analytical Modeling of Interfacial Phenomenon and Nano-Size Microstructural Features to Better Correlate Nde Electronic Property Measurements to Material State

NASA Astrophysics Data System (ADS)

Roubidoux, J. A.; Jackson, J. E.; Lasseigne, A. N.; Mishra, B.; Olson, D. L.

2010-02-01

This paper correlates nonlinear material properties to nondestructive electronic measurements by using wave analysis techniques (e.g. Perturbation Methods) and incorporating higher-order phenomena. The correlations suggest that nondestructive electronic property measurements and practices can be used to assess thin films, surface layers, and other advanced materials that exhibit modified behaviors based on their space-charged interfacial behavior.

Polarization-dependent interfacial coupling modulation of ferroelectric photovoltaic effect in PZT-ZnO heterostructures

NASA Astrophysics Data System (ADS)

Pan, Dan-Feng; Bi, Gui-Feng; Chen, Guang-Yi; Zhang, Hao; Liu, Jun-Ming; Wang, Guang-Hou; Wan, Jian-Guo

2016-03-01

Recently, ferroelectric perovskite oxides have drawn much attention due to potential applications in the field of solar energy conversion. However, the power conversion efficiency of ferroelectric photovoltaic effect currently reported is far below the expectable value. One of the crucial problems lies in the two back-to-back Schottky barriers, which are formed at the ferroelectric-electrode interfaces and blocking most of photo-generated carriers to reach the outside circuit. Herein, we develop a new approach to enhance the ferroelectric photovoltaic effect by introducing the polarization-dependent interfacial coupling effect. Through inserting a semiconductor ZnO layer with spontaneous polarization into the ferroelectric ITO/PZT/Au film, a p-n junction with strong polarization-dependent interfacial coupling effect is formed. The power conversion efficiency of the heterostructure is improved by nearly two orders of magnitude and the polarization modulation ratio is increased about four times. It is demonstrated that the polarization-dependent interfacial coupling effect can give rise to a great change in band structure of the heterostructure, not only producing an aligned internal electric field but also tuning both depletion layer width and potential barrier height at PZT-ZnO interface. This work provides an efficient way in developing highly efficient ferroelectric-based solar cells and novel optoelectronic memory devices.

Interfacial chemistry and the design of solid-phase nucleic acid hybridization assays using immobilized quantum dots as donors in fluorescence resonance energy transfer.

PubMed

Algar, W Russ; Krull, Ulrich J

2011-01-01

The use of quantum dots (QDs) as donors in fluorescence resonance energy transfer (FRET) offer several advantages for the development of multiplexed solid-phase QD-FRET nucleic acid hybridization assays. Designs for multiplexing have been demonstrated, but important challenges remain in the optimization of these systems. In this work, we identify several strategies based on the design of interfacial chemistry for improving sensitivity, obtaining lower limits of detection (LOD) and enabling the regeneration and reuse of solid-phase QD-FRET hybridization assays. FRET-sensitized emission from acceptor dyes associated with hybridization events at immobilized QD donors provides the analytical signal in these assays. The minimization of active sensing area reduces background from QD donor PL and allows the resolution of smaller amounts of acceptor emission, thus lowering the LOD. The association of multiple acceptor dyes with each hybridization event can enhance FRET efficiency, thereby improving sensitivity. Many previous studies have used interfacial protein layers to generate selectivity; however, transient destabilization of these layers is shown to prevent efficient regeneration. To this end, we report a protein-free interfacial chemistry and demonstrate the specific detection of as little as 2 pmol of target, as well as an improved capacity for regeneration.

Interfacial Chemistry and the Design of Solid-Phase Nucleic Acid Hybridization Assays Using Immobilized Quantum Dots as Donors in Fluorescence Resonance Energy Transfer

PubMed Central

Algar, W. Russ; Krull, Ulrich J.

2011-01-01

The use of quantum dots (QDs) as donors in fluorescence resonance energy transfer (FRET) offer several advantages for the development of multiplexed solid-phase QD-FRET nucleic acid hybridization assays. Designs for multiplexing have been demonstrated, but important challenges remain in the optimization of these systems. In this work, we identify several strategies based on the design of interfacial chemistry for improving sensitivity, obtaining lower limits of detection (LOD) and enabling the regeneration and reuse of solid-phase QD-FRET hybridization assays. FRET-sensitized emission from acceptor dyes associated with hybridization events at immobilized QD donors provides the analytical signal in these assays. The minimization of active sensing area reduces background from QD donor PL and allows the resolution of smaller amounts of acceptor emission, thus lowering the LOD. The association of multiple acceptor dyes with each hybridization event can enhance FRET efficiency, thereby improving sensitivity. Many previous studies have used interfacial protein layers to generate selectivity; however, transient destabilization of these layers is shown to prevent efficient regeneration. To this end, we report a protein-free interfacial chemistry and demonstrate the specific detection of as little as 2 pmol of target, as well as an improved capacity for regeneration. PMID:22163951

Polarization-dependent interfacial coupling modulation of ferroelectric photovoltaic effect in PZT-ZnO heterostructures.

PubMed

Pan, Dan-Feng; Bi, Gui-Feng; Chen, Guang-Yi; Zhang, Hao; Liu, Jun-Ming; Wang, Guang-Hou; Wan, Jian-Guo

2016-03-08

Recently, ferroelectric perovskite oxides have drawn much attention due to potential applications in the field of solar energy conversion. However, the power conversion efficiency of ferroelectric photovoltaic effect currently reported is far below the expectable value. One of the crucial problems lies in the two back-to-back Schottky barriers, which are formed at the ferroelectric-electrode interfaces and blocking most of photo-generated carriers to reach the outside circuit. Herein, we develop a new approach to enhance the ferroelectric photovoltaic effect by introducing the polarization-dependent interfacial coupling effect. Through inserting a semiconductor ZnO layer with spontaneous polarization into the ferroelectric ITO/PZT/Au film, a p-n junction with strong polarization-dependent interfacial coupling effect is formed. The power conversion efficiency of the heterostructure is improved by nearly two orders of magnitude and the polarization modulation ratio is increased about four times. It is demonstrated that the polarization-dependent interfacial coupling effect can give rise to a great change in band structure of the heterostructure, not only producing an aligned internal electric field but also tuning both depletion layer width and potential barrier height at PZT-ZnO interface. This work provides an efficient way in developing highly efficient ferroelectric-based solar cells and novel optoelectronic memory devices.

Probing Interfacial Processes on Graphene Surface by Mass Detection

NASA Astrophysics Data System (ADS)

Kakenov, Nurbek; Kocabas, Coskun

2013-03-01

In this work we studied the mass density of graphene, probed interfacial processes on graphene surface and examined the formation of graphene oxide by mass detection. The graphene layers were synthesized by chemical vapor deposition method on copper foils and transfer-printed on a quartz crystal microbalance (QCM). The mass density of single layer graphene was measured by investigating the mechanical resonance of the QCM. Moreover, we extended the developed technique to probe the binding dynamics of proteins on the surface of graphene, were able to obtain nonspecific binding constant of BSA protein of graphene surface in aqueous solution. The time trace of resonance signal showed that the BSA molecules rapidly saturated by filling the available binding sites on graphene surface. Furthermore, we monitored oxidation of graphene surface under oxygen plasma by tracing the changes of interfacial mass of the graphene controlled by the shifts in Raman spectra. Three regimes were observed the formation of graphene oxide which increases the interfacial mass, the release of carbon dioxide and the removal of small graphene/graphene oxide flakes. Scientific and Technological Research Council of Turkey (TUBITAK) grant no. 110T304, 109T209, Marie Curie International Reintegration Grant (IRG) grant no 256458, Turkish Academy of Science (TUBA-Gebip).

Polarization-dependent interfacial coupling modulation of ferroelectric photovoltaic effect in PZT-ZnO heterostructures

PubMed Central

Pan, Dan-Feng; Bi, Gui-Feng; Chen, Guang-Yi; Zhang, Hao; Liu, Jun-Ming; Wang, Guang-Hou; Wan, Jian-Guo

2016-01-01

Recently, ferroelectric perovskite oxides have drawn much attention due to potential applications in the field of solar energy conversion. However, the power conversion efficiency of ferroelectric photovoltaic effect currently reported is far below the expectable value. One of the crucial problems lies in the two back-to-back Schottky barriers, which are formed at the ferroelectric-electrode interfaces and blocking most of photo-generated carriers to reach the outside circuit. Herein, we develop a new approach to enhance the ferroelectric photovoltaic effect by introducing the polarization-dependent interfacial coupling effect. Through inserting a semiconductor ZnO layer with spontaneous polarization into the ferroelectric ITO/PZT/Au film, a p-n junction with strong polarization-dependent interfacial coupling effect is formed. The power conversion efficiency of the heterostructure is improved by nearly two orders of magnitude and the polarization modulation ratio is increased about four times. It is demonstrated that the polarization-dependent interfacial coupling effect can give rise to a great change in band structure of the heterostructure, not only producing an aligned internal electric field but also tuning both depletion layer width and potential barrier height at PZT-ZnO interface. This work provides an efficient way in developing highly efficient ferroelectric-based solar cells and novel optoelectronic memory devices. PMID:26954833

Finite difference modelling of dipole acoustic logs in a poroelastic formation with anisotropic permeability

NASA Astrophysics Data System (ADS)

He, Xiao; Hu, Hengshan; Wang, Xiuming

2013-01-01

Sedimentary rocks can exhibit strong permeability anisotropy due to layering, pre-stresses and the presence of aligned microcracks or fractures. In this paper, we develop a modified cylindrical finite-difference algorithm to simulate the borehole acoustic wavefield in a saturated poroelastic medium with transverse isotropy of permeability and tortuosity. A linear interpolation process is proposed to guarantee the leapfrog finite difference scheme for the generalized dynamic equations and Darcy's law for anisotropic porous media. First, the modified algorithm is validated by comparison against the analytical solution when the borehole axis is parallel to the symmetry axis of the formation. The same algorithm is then used to numerically model the dipole acoustic log in a borehole with its axis being arbitrarily deviated from the symmetry axis of transverse isotropy. The simulation results show that the amplitudes of flexural modes vary with the dipole orientation because the permeability tensor of the formation is dependent on the wellbore azimuth. It is revealed that the attenuation of the flexural wave increases approximately linearly with the radial permeability component in the direction of the transmitting dipole. Particularly, when the borehole axis is perpendicular to the symmetry axis of the formation, it is possible to estimate the anisotropy of permeability by evaluating attenuation of the flexural wave using a cross-dipole sonic logging tool according to the results of sensitivity analyses. Finally, the dipole sonic logs in a deviated borehole surrounded by a stratified porous formation are modelled using the proposed finite difference code. Numerical results show that the arrivals and amplitudes of transmitted flexural modes near the layer interface are sensitive to the wellbore inclination.

Possibility of H2O2 decomposition in thin liquid films on Mars

NASA Astrophysics Data System (ADS)

Kereszturi, Akos; Gobi, Sandor

2014-11-01

In this work the pathways and possibilities of H2O2 decomposition on Mars in microscopic liquid interfacial water were analyzed by kinetic calculations. Thermal and photochemical driven decomposition, just like processes catalyzed by various metal oxides, is too slow compared to the annual duration while such microscopic liquid layers exist on Mars today, to produce substantial decomposition. The most effective analyzed process is catalyzed by Fe ions, which could decompose H2O2 under pH<4.5 with a half life of 1-2 days. This process might be important during volcanically influenced periods when sulfur release produces acidic pH, and rotational axis tilt change driven climatic changes also influence the volatile circulation and spatial occurrence just like the duration of thin liquid layer. Under current conditions, using the value of 200 K as the temperature in interfacial water (at the southern hemisphere), and applying Phoenix lander's wet chemistry laboratory results, the pH is not favorable for Fe mobility and this kind of decomposition. Despite current conditions (especially pH) being unfavorable for H2O2 decomposition, microscopic scale interfacial liquid water still might support the process. By the reaction called heterogeneous catalysis, without acidic pH and mobile Fe, but with minerals surfaces containing Fe decomposition of H2O2 with half life of 20 days can happen. This duration is still longer but not several orders than the existence of springtime interfacial liquid water on Mars today. This estimation is relevant for activation energy controlled reaction rates. The other main parameter that may influence the reaction rate is the diffusion speed. Although the available tests and theoretical calculations do not provide firm values for the diffusion speed in such a “2-dimensional” environment, using relevant estimations this parameter in the interfacial liquid layer is smaller than in bulk water. But the 20 days' duration mentioned above is still relevant, as the activation energy driven reaction rate is the main limiting factor in the decomposition and not the diffusion speed. The duration of dozen(s) days is still longer but not with orders of magnitude than the expected duration for the existence of springtime interfacial liquid water on Mars today. The results suggest such decomposition may happen today, however, because of our limited knowledge on chemical processes in thin interfacial liquid layers, this possibility waits for confirmation - and also points to the importance of conducting laboratory tests to validate the possible process. Although some tests were already realized for diffusion in an almost 2-dimensional liquid, the same is not true for activation energy, where only the value from the “normal” measurements was applied. Even if H2O2 decomposition is too slow today, the analysis of such a process is important, as under volcanic influence more effective decomposition might take place in thin interfacial liquids close to the climate of today if released sulfur produces pH<4.5. Large quantity and widespread occurrence of bulk liquid phase are not expected in the Amazonian period, but interfacial liquid water probably appeared regularly, and its locations, especially during volcanically active periods, might make certain sites than others more interesting for astrobiology with the lower concentration of oxidizing H2O2.

Li.sub.2 O-Al.sub.2 O.sub.3 -SiO.sub.2 glass ceramic-aluminum containing austenitic stainless steel composite body and a method of producing the same

DOEpatents

Cassidy, Roger T.

1990-05-01

The present invention relates to a hermetically sealed Li.sub.2 O-Al.sub.2 O.sub.3 -SiO.sub.2 glass ceramic-aluminum containing stainless steel composite body and a method of producing the body. The composite body includes an oxide interfacial region between the glass ceramic and metal, wherein the interfacial region consists essentially of an Al.sub.2 O.sub.3 layer. The interfacial Al.sub.2 O.sub.3 region includes constituents of both the metal and glass ceramic.

Corresponding-states behavior of a dipolar model fluid with variable dispersion interactions and its relevance to the anomalies of hydrogen fluoride

NASA Astrophysics Data System (ADS)

Weiss, Volker C.; Leroy, Frédéric

2016-06-01

More than two decades ago, the elusiveness of a liquid-vapor equilibrium and a corresponding critical point in simulations of the supposedly simple model of dipolar hard spheres came as a surprise to many liquid matter theorists. van Leeuwen and Smit [Phys. Rev. Lett. 71, 3991 (1993)] showed that a minimum of attractive dispersion interactions among the dipolar particles may be needed to observe regular fluid behavior. Here, we adopt their approach and use an only slightly modified model, in which the original point dipole is replaced by a dipole moment produced by charges that are separated in space, to study the influence of dispersion interactions of variable strength on the coexistence and interfacial properties of a polar fluid. The thermophysical properties are discussed in terms of Guggenheim's corresponding-states approach. In this way, the coexistence curve, the critical compressibility factor, the surface tension, Guggenheim's ratio, and modifications of Guldberg's and Trouton's rules (related to the vapor pressure and the enthalpy of vaporization) are analyzed. As the importance of dispersion is decreased, a crossover from simple-fluid behavior to that characteristic of strongly dipolar systems takes place; for some properties, this transition is monotonic, but for others it occurs non-monotonically. For strongly dipolar systems, the reduced surface tension is very low, whereas Guggenheim's ratio and Guldberg's ratio are found to be high. The critical compressibility factor is smaller, and the coexistence curve is wider and more skewed than for simple fluids. For very weak dispersion, liquid-vapor equilibrium is still observable, but the interfacial tension is extremely low and may, eventually, vanish marking the end of the existence of a liquid phase. We discuss the implications of our findings for real fluids, in particular, for hydrogen fluoride.

In-situ fabrication of diketopyrrolopyrrole-carbazole-based conjugated polymer/TiO2 heterojunction for enhanced visible light photocatalysis

NASA Astrophysics Data System (ADS)

Yang, Long; Yu, Yuyan; Zhang, Jianling; Chen, Fu; Meng, Xiao; Qiu, Yong; Dan, Yi; Jiang, Long

2018-03-01

Aiming at developing highly efficient photocatalysts by broadening the light-harvesting region and suppressing photo-generated electron-hole recombination simultaneously, this work reports rational design and fabrication of donor-acceptor (D-A) conjugated polymer/TiO2 heterojunction catalyst with strong interfacial interactions by a facile in-situ thermal treatment. To expand the light-harvesting window, soluable conjugated copolymers with D-A architecture are prepared by Pd-mediated polycondensation of diketopyrrolopyrrole (DPP) and t-butoxycarbonyl (t-Boc) modified carbazole (Car), and used as visible-light-harvesting antenna to couple with TiO2 nanocrystals. The DPP-Car/TiO2 composites show wide range absorption in 300-1000 nm. To improve the interfacial binding at the interface, a facile in-situ thermal treatment is carried out to cleave the pendant t-Boc groups in carbazole units and liberate the polar amino groups (-NH-) which strongly bind to the surface of TiO2 through dipole-dipole interactions, forming a heterojunction interface. This in-situ thermal treatment changes the surface elemental distribution of TiO2, reinforces the interface bonding at the boundary of conjugated polymers/TiO2 and finally improves the photocatalytic efficiency of DPP-Car/TiO2 under visible-light irradiation. The interface changes are characterized and verified through Fourier-transform infrared spectroscopy (FT-IR), photo images, UV/Vis (solution state and powder diffuse reflection spectroscopy), X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS), fluorescence, scanning electron microscopy(SEM) and transmission electron microscopy (TEM) techniques. This study provides a new strategy to avoid the low solubility of D-A conjugated polymers and construct highly-efficient conjugated polymer/TiO2 heterojunction by enforcing the interface contact and facilitating charge or energy transfer for the applications in photocatalysis.

Water mass characteristic in the outflow region of the Indonesian throughflow during and post 2016 negative Indian ocean dipole event

NASA Astrophysics Data System (ADS)

Bayhaqi, A.; Iskandar, I.; Surinati, D.; Budiman, A. S.; Wardhana, A. K.; Dirhamsyah; Yuan, D.; Lestari, D. O.

2018-05-01

Strong El Niño and positive Indian Ocean Dipole (pIOD) events in 2015/2016 followed by relatively strong negative Indian Ocean Dipole (nIOD) and weak La Niña in 2016 events have affected hydrography conditions in the Indonesian Throughflow (ITF) region. Two research cruises were conducted using RV Baruna Jaya VIII in August and November 2016. These cruises aim to evaluate possible impact of those two climate mode events on the water mass characteristic in the outflow region of the ITF. Hydrographic data from those two cruises were combined with the sea surface temperature (SST) from the Advanced Very High Resolution Radiometer (AVHRR) and surface wind data from the European Centre for Medium-Range Weather Forecasts (ECMWF). The results showed that in the 2016 anomaly year, the cooler sea surface temperature was observed during the negative IOD (nIOD) event while the warmer temperature was found in the post of nIOD event. The observed water mass characteristics in the outflow region of the ITF revealed that the upper layer was dominated by the Indian Ocean water mass, while the Pacific Ocean water mass was observed in the deeper layer. The observed current data across the Sumba Strait showed that the South Java Coastal Current (SJCC) was observed in the upper layer, propagating eastward toward the Savu Sea. A few days later, the observed currents in the upper layer of the Ombai Strait revealed the ITF flow towards the Indian Ocean. Meanwhile, the lower layer showed an eastward flow towards the Ombai Strait.

Growth Kinetics of Magnesio-Aluminate Spinel in Al/Mg Lamellar Composite Interface

NASA Astrophysics Data System (ADS)

Fouad, Yasser; Rabeeh, Bakr Mohamed

The synthesis of Mg-Al2O3 double layered interface is introduced via the application of hot isostatic pressing, HIPing, in Al-Mg foils. Polycrystalline spinel layers are grown experimentally at the interfacial contacts between Al-Mg foils. The growth behavior of the spinel layers along with the kinetic parameters characterizing interface motion and long-range diffusion is established. Low melting depressant (LMD), Zn, and alloying element segregation tends to form micro laminated and/or Nano structure interphase in a lamellar composite solid state processing. Nano composite ceramic interphase materials offer interesting mechanical properties not achievable in other materials, such as superplastic flow and metal-like machinability. Microstructural characterization, mechanical characterization is also established via optical microscopy scanning electron microscopy, energy dispersive X-ray spectroscopy and tensile testing. Chemical and mechanical bonding via inter diffusion processing with alloy segregation are dominant for interphase kinetics. Mechanical characterization with interfacial shear strength is also introduced. HIPing processing is successfully applied on 6082 Al-alloy and AZ31 magnesium alloy for either particulate or micro-laminated interfacial composite processing. The interphase kinetic established through localized micro plasticity, metal flow, alloy segregation and delocalized Al oxide and Mg oxide. The kinetic of interface/interphase induce new nontraditional crack mitigation a long with new bridging and toughening mechanisms.

Formation of Reversible Solid Electrolyte Interface on Graphite Surface from Concentrated Electrolytes

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

Lu, Dongping; Tao, Jinhui; Yan, Pengfei

2017-02-10

Interfacial phenomena have always been key determinants for the performance of energy storage technologies. The solid electrolyte interfacial (SEI) layer, pervasive on the surfaces of battery electrodes for numerous chemical couples, directly affects the ion transport, charge transfer and lifespan of the entire energy system. Almost all SEI layers, however, are unstable resulting in the continuous consumption of the electrolyte. Typically, this leads to the accumulation of degradation products on/restructuring of the electrode surface and thus increased cell impedance, which largely limits the long-term operation of the electrochemical reactions. Herein, a completely new SEI formation mechanism has been discovered, inmore » which the electrolyte components reversibly self-assemble into a protective surface coating on a graphite electrode upon changing the potential. In contrast to the established wisdom regarding the necessity of employing the solvent ethylene carbonate (EC) to form a protective SEI layer on graphite, a wide range of EC-free electrolytes are demonstrated for the reversible intercalation/deintercalation of Li+ cations within a graphite lattice, thereby providing tremendous flexibility in electrolyte tailoring for battery couples. This novel finding is broadly applicable and provides guidance for how to control interfacial reactions through the relationship between ion aggregation and solvent decomposition at polarized interfaces.« less

Defects, strain relaxation, and compositional grading in high indium content InGaN epilayers grown by molecular beam epitaxy

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

Bazioti, C.; Kehagias, Th.; Pavlidou, E.

2015-10-21

We investigate the structural properties of a series of high alloy content InGaN epilayers grown by plasma-assisted molecular beam epitaxy, employing the deposition temperature as variable under invariant element fluxes. Using transmission electron microscopy methods, distinct strain relaxation modes were observed, depending on the indium content attained through temperature adjustment. At lower indium contents, strain relaxation by V-pit formation dominated, with concurrent formation of an indium-rich interfacial zone. With increasing indium content, this mechanism was gradually substituted by the introduction of a self-formed strained interfacial InGaN layer of lower indium content, as well as multiple intrinsic basal stacking faults andmore » threading dislocations in the rest of the film. We show that this interfacial layer is not chemically abrupt and that major plastic strain relaxation through defect introduction commences upon reaching a critical indium concentration as a result of compositional pulling. Upon further increase of the indium content, this relaxation mode was again gradually succeeded by the increase in the density of misfit dislocations at the InGaN/GaN interface, leading eventually to the suppression of the strained InGaN layer and basal stacking faults.« less

Self-assembled growth and structural analysis of inclined GaN nanorods on nanoimprinted m-sapphire using catalyst-free metal-organic chemical vapor deposition

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

Lee, Kyuseung; Chae, Sooryong; Jang, Jongjin

2016-04-15

In this study, self-assembled inclined (1-10-3)-oriented GaN nanorods (NRs) were grown on nanoimprinted (10-10) m-sapphire substrates using catalyst-free metal-organic chemical vapor deposition. According to X-ray phi-scans, the inclined GaN NRs were tilted at an angle of ∼57.5° to the [10-10]{sub sapp} direction. Specifically, the GaN NRs grew in a single inclined direction to the [11-20]{sub sapp}. Uni-directionally inclined NRs were formed through the one-sided (10-11)-faceted growth of the interfacial a-GaN plane layer. It was confirmed that a thin layer of a-GaN was formed on r-facet nanogrooves of the m-sapphire substrate by nitridation. The interfacial a-GaN nucleation affected both the inclinedmore » angle and the growth direction of the inclined GaN NRs. Using X-ray diffraction and selective area electron diffraction, the epitaxial relationship between the inclined (1-10-3) GaN NRs and interfacial a-GaN layer on m-sapphire substrates was systematically investigated. Moreover, the inclined GaN NRs were observed to be mostly free of stacking fault-related defects using high-resolution transmission electron microscopy.« less

Manipulating interfacial polymer structures through mixed surfactant adsorption and complexation.

PubMed

Cattoz, Beatrice; de Vos, Wiebe M; Cosgrove, Terence; Crossman, Martin; Prescott, Stuart W

2012-04-17

The effects of a nonionic alcohol ethoxylate surfactant, C(13)E(7), on the interactions between PVP and SDS both in the bulk and at the silica nanoparticle interface are studied by photon correlation spectroscopy, solvent relaxation NMR, SANS, and optical reflectometry. Our results confirmed that, in the absence of SDS, C(13)E(7) and PVP are noninteracting, while SDS interacts strongly both with PVP and C(13)E(7) . Studying interfacial interactions showed that the interfacial interactions of PVP with silica can be manipulated by varying the amounts of SDS and C(13)E(7) present. Upon SDS addition, the adsorbed layer thickness of PVP on silica increases due to Coulombic repulsion between micelles in the polymer layer. When C(13)E(7) is progressively added to the system, it forms mixed micelles with the complexed SDS, reducing the total charge per micelle and thus reducing the repulsion between micelle and the silica surface that would otherwise cause the PVP to desorb. This causes the amount of adsorbed polymer to increase with C(13)E(7) addition for the systems containing SDS, demonstrating that addition of C(13)E(7) hinders the SDS-mediated desorption of an adsorbed PVP layer. © 2012 American Chemical Society

Monolithic Inorganic ZnO/GaN Semiconductors Heterojunction White Light-Emitting Diodes.

PubMed

Jeong, Seonghoon; Oh, Seung Kyu; Ryou, Jae-Hyun; Ahn, Kwang-Soon; Song, Keun Man; Kim, Hyunsoo

2018-01-31

Monolithic light-emitting diodes (LEDs) that can generate white color at the one-chip level without the wavelength conversion through packaged phosphors or chip integration for photon recycling are of particular importance to produce compact, cost-competitive, and smart lighting sources. In this study, monolithic white LEDs were developed based on ZnO/GaN semiconductor heterojunctions. The electroluminescence (EL) wavelength of the ZnO/GaN heterojunction could be tuned by a post-thermal annealing process, causing the generation of an interfacial Ga 2 O 3 layer. Ultraviolet, violet-bluish, and greenish-yellow broad bands were observed from n-ZnO/p-GaN without an interfacial layer, whereas a strong greenish-yellow band emission was the only one observed from that with an interfacial layer. By controlled integration of ZnO/GaN heterojunctions with different postannealing conditions, monolithic white LED was demonstrated with color coordinates in the range (0.3534, 0.3710)-(0.4197, 0.4080) and color temperatures of 4778-3349 K in the Commission Internationale de l'Eclairage 1931 chromaticity diagram. Furthermore, the monolithic white LED produced approximately 2.1 times higher optical output power than a conventional ZnO/GaN heterojunction due to the carrier confinement effect at the Ga 2 O 3 /n-ZnO interface.

Current induced incoherent magnetization dynamics in ferromagnetic/non-magnetic metallic multilayer nanowires

NASA Astrophysics Data System (ADS)

Al-Rashid, Md Mamun; Maqableh, Mazin; Stadler, Bethanie; Atulasimha, Jayasimha

High density arrays of electrodeposited nanowires consisting of ferromagnetic/non-magnetic (Co/Cu) multilayers are promising as magnetic memory devices. For individual nanowires containing multiple (Co/Cu) bilayers, the stable magnetization orientations of the Co layers (with respect to each other and the nanowire axis) are dependent on the Cu layer thickness, even when the Co layer dimensions are fixed. This dependence is a result of the competition between shape anisotropy, magneto-crystalline anisotropy and intra-wire dipole coupling. However, when the nanowires are closely packed in arrays, inter-wire dipole coupling can result in complex and tunable domain structures comprising segments of multiple nanowires. This work explores the dependence of these domain structures and their switching on the non-magnetic layer thickness and intra-wire spacing both experimentally and via rigorous micromagnetic simulation. These domain structures play a crucial role in determining the current and time required for STT switching. NSF CAREER Grant CCF-1253370.

Effects of the dielectric properties of the ceramic-solvent interface on the binding of proteins to oxide ceramics: a non-local electrostatic approach.

PubMed

Rubinstein, Alexander I; Sabirianov, Renat F; Namavar, Fereydoon

2016-10-14

The rapid development of nanoscience and nanotechnology has raised many fundamental questions that significantly impede progress in these fields. In particular, understanding the physicochemical processes at the interface in aqueous solvents requires the development and application of efficient and accurate methods. In the present work we evaluate the electrostatic contribution to the energy of model protein-ceramic complex formation in an aqueous solvent. We apply a non-local (NL) electrostatic approach that accounts for the effects of the short-range structure of the solvent on the electrostatic interactions of the interfacial systems. In this approach the aqueous solvent is considered as a non-ionic liquid, with the rigid and strongly correlated dipoles of the water molecules. We have found that an ordered interfacial aqueous solvent layer at the protein- and ceramic-solvent interfaces reduces the charging energy of both the ceramic and the protein in the solvent, and significantly increases the electrostatic contribution to their association into a complex. This contribution in the presented NL approach was found to be significantly shifted with respect to the classical model at any dielectric constant value of the ceramics. This implies a significant increase of the adsorption energy in the protein-ceramic complex formation for any ceramic material. We show that for several biocompatible ceramics (for example HfO2, ZrO2, and Ta2O5) the above effect predicts electrostatically induced protein-ceramic complex formation. However, in the framework of the classical continuum electrostatic model (the aqueous solvent as a uniform dielectric medium with a high dielectric constant ∼80) the above ceramics cannot be considered as suitable for electrostatically induced complex formation. Our results also show that the protein-ceramic electrostatic interactions can be strong enough to compensate for the unfavorable desolvation effect in the process of protein-ceramic complex formation.

Effects of the dielectric properties of the ceramic-solvent interface on the binding of proteins to oxide ceramics: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander I.; Sabirianov, Renat F.; Namavar, Fereydoon

2016-10-01

The rapid development of nanoscience and nanotechnology has raised many fundamental questions that significantly impede progress in these fields. In particular, understanding the physicochemical processes at the interface in aqueous solvents requires the development and application of efficient and accurate methods. In the present work we evaluate the electrostatic contribution to the energy of model protein-ceramic complex formation in an aqueous solvent. We apply a non-local (NL) electrostatic approach that accounts for the effects of the short-range structure of the solvent on the electrostatic interactions of the interfacial systems. In this approach the aqueous solvent is considered as a non-ionic liquid, with the rigid and strongly correlated dipoles of the water molecules. We have found that an ordered interfacial aqueous solvent layer at the protein- and ceramic-solvent interfaces reduces the charging energy of both the ceramic and the protein in the solvent, and significantly increases the electrostatic contribution to their association into a complex. This contribution in the presented NL approach was found to be significantly shifted with respect to the classical model at any dielectric constant value of the ceramics. This implies a significant increase of the adsorption energy in the protein-ceramic complex formation for any ceramic material. We show that for several biocompatible ceramics (for example HfO2, ZrO2, and Ta2O5) the above effect predicts electrostatically induced protein-ceramic complex formation. However, in the framework of the classical continuum electrostatic model (the aqueous solvent as a uniform dielectric medium with a high dielectric constant ˜80) the above ceramics cannot be considered as suitable for electrostatically induced complex formation. Our results also show that the protein-ceramic electrostatic interactions can be strong enough to compensate for the unfavorable desolvation effect in the process of protein-ceramic complex formation.

Yellow to greenish-blue colour-tunable photoluminescence and 4f-centered slow magnetic relaxation in a cyanido-bridged Dy(III)(4-hydroxypyridine)-Co(III) layered material.

PubMed

Chorazy, Szymon; Wang, Junhao; Ohkoshi, Shin-Ichi

2016-09-14

A cyanido-bridged layered {[Dy(III)(4-OHpy)2(H2O)3][Co(III)(CN)6]}·0.5H2O (1) (4-OHpy = 4-hydroxypyridine) framework with dual photo-luminescence and magnetic properties was prepared. 1 exhibits visible emission whose color, yellow to greenish-blue, is switchable by selected wavelengths of UV excitation light. Magnetic data revealed that 1 shows not only the slow magnetic relaxation of a typical Dy(III) single-ion origin but also the relaxation process caused by the magnetic dipole-magnetic dipole interactions between the neighbouring Dy(III) centers.

Dentin-cement Interfacial Interaction

PubMed Central

Atmeh, A.R.; Chong, E.Z.; Richard, G.; Festy, F.; Watson, T.F.

2012-01-01

The interfacial properties of a new calcium-silicate-based coronal restorative material (Biodentine™) and a glass-ionomer cement (GIC) with dentin have been studied by confocal laser scanning microscopy (CLSM), scanning electron microscopy (SEM), micro-Raman spectroscopy, and two-photon auto-fluorescence and second-harmonic-generation (SHG) imaging. Results indicate the formation of tag-like structures alongside an interfacial layer called the “mineral infiltration zone”, where the alkaline caustic effect of the calcium silicate cement’s hydration products degrades the collagenous component of the interfacial dentin. This degradation leads to the formation of a porous structure which facilitates the permeation of high concentrations of Ca2+, OH-, and CO32- ions, leading to increased mineralization in this region. Comparison of the dentin-restorative interfaces shows that there is a dentin-mineral infiltration with the Biodentine, whereas polyacrylic and tartaric acids and their salts characterize the penetration of the GIC. A new type of interfacial interaction, “the mineral infiltration zone”, is suggested for these calcium-silicate-based cements. PMID:22436906

Nanowire Membrane-based Nanothermite: towards Processable and Tunable Interfacial Diffusion for Solid State Reactions

PubMed Central

Yang, Yong; Wang, Peng-peng; Zhang, Zhi-cheng; Liu, Hui-ling; Zhang, Jingchao; Zhuang, Jing; Wang, Xun

2013-01-01

Interfacial diffusion is of great importance in determining the performance of solid-state reactions. For nanometer sized particles, some solid-state reactions can be triggered accidently by mechanical stress owing to their large surface-to-volume ratio compared with the bulk ones. Therefore, a great challenge is the control of interfacial diffusion for solid state reactions, especially for energetic materials. Here we demonstrate, through the example of nanowire-based thermite membrane, that the thermite solid-state reaction can be easily tuned via the introduction of low-surface-energy coating layer. Moreover, this silicon-coated thermite membrane exhibit controlled wetting behavior ranging from superhydrophilic to superhydrophobic and, simultaneously, to significantly reduce the friction sensitivity of thermite membrane. This effect enables to increase interfacial resistance by increasing the amount of coating material. Indeed, our results described here make it possible to tune the solid-state reactions through the manipulation of interfacial diffusion between the reactants. PMID:23603809

Fermi level pinning at epitaxial Si on GaAs(100) interfaces

NASA Astrophysics Data System (ADS)

Silberman, J. A.; de Lyon, T. J.; Woodall, J. M.

1991-12-01

GaAs Schottky barrier contacts and metal-insulator-semiconductor structures that include thin epitaxial Si interfacial layers operate in a manner consistent with an unpinned Fermi level at the GaAs interface. These findings raise the question of whether this effect is an intrinsic property of the epitaxial GaAs(100)-Si interface. We have used x-ray photoemission spectroscopy to monitor the Fermi level position during in situ growth of thin epitaxial Si layers. In particular, films formed on heavily doped n- and p-type substrates were compared so as to use the large depletion layer fields available with high impurity concentration as a field-effect probe of the interface state density. The results demonstrate that epitaxial bonding at the interface alone is insufficient to eliminate Fermi level pinning, indicating that other mechanisms affect the interfacial charge balance in the devices that utilize Si interlayers.

Semipermeable polymers and method for producing same

DOEpatents

Buschmann, Wayne E [Boulder, CO

2012-04-03

A polyamide membrane comprising reaction product of an anhydrous solution comprising an anhydrous solvent, at least one polyfunctional secondary amine and a pre-polymer deposition catalyst; and an anhydrous, organic solvent solution comprising a polyfunctional aromatic amine-reactive reactant comprising one ring. A composite semipermeable membrane comprising the polyamide membrane on a porous support. A method of making a composite semipermeable membrane by coating a porous support with an anhydrous solution comprising an anhydrous solvent, a polyfunctional secondary amine and a pre-polymer deposition catalyst, to form an activated pre-polymer layer on the porous support and contacting the activated pre-polymer layer with an anhydrous, organic solvent solution comprising a polyfunctional amine-reactive reactant to interfacially condense the amine-reactive reactant with the polyfunctional secondary amine, thereby forming a cross-linked, interfacial polyamide layer on the porous support. A method of impregnating a composite semipermeable membrane with nanoparticles selected from heavy metals and/or oxides of heavy metals.

Electrical power generation by mechanically modulating electrical double layers.

PubMed

Moon, Jong Kyun; Jeong, Jaeki; Lee, Dongyun; Pak, Hyuk Kyu

2013-01-01

Since Michael Faraday and Joseph Henry made their great discovery of electromagnetic induction, there have been continuous developments in electrical power generation. Most people today get electricity from thermal, hydroelectric, or nuclear power generation systems, which use this electromagnetic induction phenomenon. Here we propose a new method for electrical power generation, without using electromagnetic induction, by mechanically modulating the electrical double layers at the interfacial areas of a water bridge between two conducting plates. We find that when the height of the water bridge is mechanically modulated, the electrical double layer capacitors formed on the two interfacial areas are continuously charged and discharged at different phases from each other, thus generating an AC electric current across the plates. We use a resistor-capacitor circuit model to explain the results of this experiment. This observation could be useful for constructing a micro-fluidic power generation system in the near future.

Thermal conductance of interfaces with molecular layers - low temperature transient absorption study on gold nanorods supported on self assembled monolayers

NASA Astrophysics Data System (ADS)

Wang, Wei; Huang, Jingyu; Murphy, Catherine; Cahill, David; University of Illinois At Urbana Champaign, Department of Materials Science; Engineering Team; Department Collaboration

2011-03-01

While heat transfer via phonons across solid-solid boundary has been a core field in condense matter physics for many years, vibrational energy transport across molecular layers has been less well elucidated. We heat rectangular-shaped gold nanocrystals (nanorods) with Ti-sapphire femtosecond pulsed laser at their longitudinal surface plasmon absorption wavelength to watch how their temperature evolves in picoseconds transient. We observed single exponential decay behavior, which suggests that the heat dissipation is only governed by a single interfacial conductance value. The ``RC'' time constant was 300ps, corresponding to a conductance value of 95MW/ m 2 K. This interfacial conductance value is also a function of ambient temperature since at temperatures as low as 80K, which are below the Debye temperature of organic layers, several phonon modes were quenched, which shut down the dominating channels that conduct heat at room temperature.

Nondestructive depth profile of the chemical state of ultrathin Al2O3/Si interface

NASA Astrophysics Data System (ADS)

Lee, Jong Cheol; Oh, S.-J.

2004-05-01

We investigated a depth profile of the chemical states of an Al2O3/Si interface using nondestructive photon energy-dependent high-resolution x-ray photoelectron spectroscopy (HRXPS). The Si 2p binding energy, attributed to the oxide interfacial layer (OIL), was found to shift from 102.1 eV to 102.9 eV as the OIL region closer to Al2O3 layer was sampled, while the Al 2p binding energy remains the same. This fact strongly suggests that the chemical state of the interfacial layer is not Al silicate as previously believed. We instead propose from the HRXPS of Al 2p and Si 2p depth-profile studies that the chemical states of the Al2O3/Si interface mainly consist of SiO2 and Si2O3.

Tuning the interfacial charge, orbital, and spin polarization properties in La0.67Sr0.33MnO3/La1-xSrxMnO3 bilayers

NASA Astrophysics Data System (ADS)

Carreira, Santiago J.; Aguirre, Myriam H.; Briatico, Javier; Weschke, Eugen; Steren, Laura B.

2018-01-01

The possibility of controlling the interfacial properties of artificial oxide heterostructures is still attracting researchers in the field of materials engineering. Here, we used surface sensitive techniques and high-resolution transmission electron microscopy to investigate the evolution of the surface spin-polarization and lattice strains across the interfaces between La0.66Sr0.33MnO3 thin films and low-doped manganites as capping layers. We have been able to fine tune the interfacial spin-polarization by changing the capping layer thickness and composition. The spin-polarization was found to be the highest at a critical capping thickness that depends on the Sr doping. We explain the non-trivial magnetic profile by the combined effect of two mechanisms: On the one hand, the extra carriers supplied by the low-doped manganites that tend to compensate the overdoped interface, favouring locally a ferromagnetic double-exchange coupling. On the other hand, the evolution from a tensile-strained structure of the inner layers to a compressed structure at the surface that changes gradually the orbital occupation and hybridization of the 3d-Mn orbitals, being detrimental for the spin polarization. The finding of an intrinsic spin-polarization at the A-site cation observed in x-ray magnetic circular dichroism (XMCD) measurements also reveals the existence of a complex magnetic configuration at the interface, different from the magnetic phases observed at the inner layers.

The electrode/ionic liquid interface: electric double layer and metal electrodeposition.

PubMed

Su, Yu-Zhuan; Fu, Yong-Chun; Wei, Yi-Min; Yan, Jia-Wei; Mao, Bing-Wei

2010-09-10

The last decade has witnessed remarkable advances in interfacial electrochemistry in room-temperature ionic liquids. Although the wide electrochemical window of ionic liquids is of primary concern in this new type of solvent for electrochemistry, the unusual bulk and interfacial properties brought about by the intrinsic strong interactions in the ionic liquid system also substantially influence the structure and processes at electrode/ionic liquid interfaces. Theoretical modeling and experimental characterizations have been indispensable in reaching a microscopic understanding of electrode/ionic liquid interfaces and in elucidating the physics behind new phenomena in ionic liquids. This Minireview describes the status of some aspects of interfacial electrochemistry in ionic liquids. Emphasis is placed on high-resolution and molecular-level characterization by scanning tunneling microscopy and vibrational spectroscopies of interfacial structures, and the initial stage of metal electrodeposition with application in surface nanostructuring.

Effect of chemically converted graphene as an electrode interfacial modifier on device-performances of inverted organic photovoltaic cells

NASA Astrophysics Data System (ADS)

Kang, Tae-Woon; Noh, Yong-Jin; Yun, Jin-Mun; Yang, Si-Young; Yang, Yong-Eon; Lee, Hae-Seong; Na, Seok-In

2015-06-01

This study examined the effects of chemically converted graphene (CCG) materials as a metal electrode interfacial modifier on device-performances of inverted organic photovoltaic cells (OPVs). As CCG materials for interfacial layers, a conventional graphene oxide (GO) and reduced graphene oxide (rGO) were prepared, and their functions on OPV-performances were compared. The inverted OPVs with CCG materials showed all improved cell-efficiencies compared with the OPVs with no metal/bulk-heterojunction (BHJ) interlayers. In particular, the inverted OPVs with reduction form of GO showed better device-performances than those with GO and better device-stability than poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) (PEDOT:PSS)-based inverted solar cells, showing that the rGO can be more desirable as a metal/BHJ interfacial material for fabricating inverted-configuration OPVs.

Capping Layer (CL) Induced Antidamping in CL/Py/β-W System (CL: Al, β-Ta, Cu, β-W).

PubMed

Behera, Nilamani; Guha, Puspendu; Pandya, Dinesh K; Chaudhary, Sujeet

2017-09-13

For achieving ultrafast switching speed and minimizing dissipation losses, the spin-based data storage device requires a control on effective damping (α eff ) of nanomagnetic bits. Incorporation of interfacial antidamping spin orbit torque (SOT) in spintronic devices therefore has high prospects for enhancing their performance efficiency. Clear evidence of such an interfacial antidamping is found in Al capped Py(15 nm)/β-W(t W )/Si (Py = Ni 81 Fe 19 and t W = thickness of β-W), which is in contrast to the increase of α eff (i.e., damping) usually associated with spin pumping as seen in Py(15 nm)/β-W(t W )/Si system. Because of spin pumping, the interfacial spin mixing conductance (g ↑↓ ) at Py/β-W interface and spin diffusion length (λ SD ) of β-W are found to be 1.63(±0.02) × 10 18 m -2 (1.44(±0.02) × 10 18 m -2 ) and 1.42(±0.19) nm (1.00(±0.10) nm) for Py(15 nm)/β-W(t W )/Si (β-W(t W )/Py(15 nm)/Si) bilayer systems. Other different nonmagnetic capping layers (CL), namely, β-W(2 nm), Cu(2 nm), and β-Ta(2,3,4 nm) were also grown over the same Py(15 nm)/β-W(t W ). However, antidamping is seen only in β-Ta(2,3 nm)/Py(15 nm)/β-W(t W )/Si. This decrease in α eff is attributed to the interfacial Rashba like SOT generated by nonequilibrium spin accumulation subsequent to the spin pumping. Contrary to this, when interlayer positions of Py(15 nm) and β-W(t W ) is interchanged irrespective of the fixed top nonmagnetic layer, an increase of α eff is observed, which is ascribed to spin pumping from Py to β-W layer.

Phase-Transfer Energetics of Small-Molecule Alcohols Across the Water-Hexane Interface: Molecular Dynamics Simulation Using Charge Equilibration Models

PubMed Central

Bauer, Brad A.; Zhong, Yang; Meninger, David J.; Davis, Joseph E.; Patel, Sandeep

2010-01-01

We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 g/cm3 and 0.6378±0.0001 g/cm3, demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (ε∥) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ε∥ for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13mV and 198.7±0.01mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than for fixed-charge force fields. The implications of such behavior pertain to the modeling of polar and charged solutes in lipidic environments. PMID:21414823

Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

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

Sujan, G.K., E-mail: sgkumer@gmail.com; Haseeb, A.S.M.A., E-mail: haseeb@um.edu.my; Afifi, A.B.M., E-mail: amalina@um.edu.my

2014-11-15

Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticlemore » doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping of flux with appropriate metallic nanoparticles can be successfully used to control the morphology and growth of intermetallic compound layers at the solder/substrate interface which is expected to lead to better reliability of electronic devices. - Highlights: • A novel nanodoped flux method has been developed to control the growth of IMCs. • Ni doped flux improves the wettability, but Co, Mo and Ti deteriorate it. • Ni and Co doped flux gives planer IMC morphology through in-situ alloying effect. • 0.1 wt.% Ni and Co addition into flux gives the lowest interfacial IMC thickness. • Mo and Ti doped flux does not have any influence at the interfacial reaction.« less

Assesment on the performance of electrode arrays using image processing technique

NASA Astrophysics Data System (ADS)

Usman, N.; Khiruddin, A.; Nawawi, Mohd

2017-08-01

Interpreting inverted resistivity section is time consuming, tedious and requires other sources of information to be relevant geologically. Image processing technique was used in order to perform post inversion processing which make geophysical data interpretation easier. The inverted data sets were imported into the PCI Geomatica 9.0.1 for further processing. The data sets were clipped and merged together in order to match the coordinates of the three layers and permit pixel to pixel analysis. Dipole-dipole array is more sensitive to resistivity variation with depth in comparison with Werner-Schlumberger and pole-dipole. Image processing serves as good post-inversion tool in geophysical data processing.

Hafnium oxide films for application as gate dielectrics

NASA Astrophysics Data System (ADS)

Hsu, Shuo-Lin

The deposition and characterization of HfO2 films for potential application as a high-kappa gate dielectric in MOS devices has been investigated. DC magnetron reactive sputtering was utilized to prepare the HfO2 films. Structural, chemical, and electrical analyses were performed to characterize the various physical, chemical and electrical properties of the sputtered HfO2 films. The sputtered HfO2 films were annealed to simulate the dopant activation process used in semiconductor processing, and to study the thermal stability of the high-kappa, films. The changes in the film properties due to the annealing are also discussed in this work. Glancing angle XRD was used to analyse the atomic scale structure of the films. The as deposited films exhibit an amorphous, regardless of the film thickness. During post-deposition annealing, the thicker films crystallized at lower temperature (< 600°C), and ultra-thin (5.8 nm) film crystallized at higher temperature (600--720°C). The crystalline phase which formed depended on the thickness of the films. The low temperature phase (monoclinic) formed in the 10--20 nm annealed films, and high temperature phase (tetragonal) formed in the ultra-thin annealed HfO2 film. TEM cross-section studies of as deposited samples show that an interfacial layer (< 1nm) exists between HfO2/Si for all film thicknesses. The interfacial layer grows thicker during heat treatment, and grows more rapidly when grain boundaries are present. XPS surface analysis shows the as deposited films are fully oxidized with an excess of oxygen. Interfacial chemistry analysis indicated that the interfacial layer is a silicon-rich silicate layer, which tends to transform to silica-like layer during heat treatment. I-V measurements show the leakage current density of the Al/as deposited-HfO 2/Si MOS diode is of the order of 10-3 A/cm 2, two orders of magnitude lower than that of a ZrO2 film with similar physical thickness. Carrier transport is dominated by Schottky emission at lower electric fields, and by Frenkel-Poole emission in the higher electric field region. After annealing, the leakage current density decreases significantly as the structure remains amorphous structure. It is suggested that this decrease is assorted with the densification and defect healing which accures when the porous as-deposited amorphous structure is annealed. The leakage current density increases of the HfO2 layer crystallizes on annealing, which is attributed to the presence of grain boundaries. C-V measurements of the as deposited film shows typical C-V characteristics, with negligible hystersis, a small flat band voltage shift, but great frequency dispersion. The relative permittivity of HfO2/interfacial layer stack obtained from the capacitance at accumulation is 15, which corresponds to an EOT (equivalent oxide thickness) = 1.66 nm. After annealing, the frequency dispersion is greatly enhanced, and the C-V curve is shifted toward the negative voltage. Reliability tests show that the HfO2 films which remain amorphous after annealing possess superior resistance to constant voltage stress and ambient aging. This study concluded that the sputtered HfO 2 films exhibit an amorphous as deposited. Postdeposition annealing alters the crystallinity, interfacial properties, and electrical characteristics. The HfO2 films which remain amorphous structure after annealing possess the best electrical properties.

Terahertz absorption of lysozyme in solution

NASA Astrophysics Data System (ADS)

Martin, Daniel R.; Matyushov, Dmitry V.

2017-08-01

Absorption of radiation by solution is described by its frequency-dependent dielectric function and can be viewed as a specific application of the dielectric theory of solutions. For ideal solutions, the dielectric boundary-value problem separates the polar response into the polarization of the void in the liquid, created by the solute, and the response of the solute dipole. In the case of a protein as a solute, protein nuclear dynamics do not project on significant fluctuations of the dipole moment in the terahertz domain of frequencies and the protein dipole can be viewed as dynamically frozen. Absorption of radiation then reflects the interfacial polarization. Here we apply an analytical theory and computer simulations to absorption of radiation by an ideal solution of lysozyme. Comparison with the experiment shows that Maxwell electrostatics fails to describe the polarization of the protein-water interface and the "Lorentz void," which does not anticipate polarization of the interface by the external field (no surface charges), better represents the data. An analytical theory for the slope of the solution absorption against the volume fraction of the solute is formulated in terms of the cavity field response function. It is calculated from molecular dynamics simulations in good agreement with the experiment. The protein hydration shell emerges as a separate sub-ensemble, which, collectively, is not described by the standard electrostatics of dielectrics.

Compensating for Electrode Polarization in Dielectric Spectroscopy Studies of Colloidal Suspensions: Theoretical Assessment of Existing Methods

PubMed Central

Chassagne, Claire; Dubois, Emmanuelle; Jiménez, María L.; van der Ploeg, J. P. M; van Turnhout, Jan

2016-01-01

Dielectric spectroscopy can be used to determine the dipole moment of colloidal particles from which important interfacial electrokinetic properties, for instance their zeta potential, can be deduced. Unfortunately, dielectric spectroscopy measurements are hampered by electrode polarization (EP). In this article, we review several procedures to compensate for this effect. First EP in electrolyte solutions is described: the complex conductivity is derived as function of frequency, for two cell geometries (planar and cylindrical) with blocking electrodes. The corresponding equivalent circuit for the electrolyte solution is given for each geometry. This equivalent circuit model is extended to suspensions. The complex conductivity of a suspension, in the presence of EP, is then calculated from the impedance. Different methods for compensating for EP are critically assessed, with the help of the theoretical findings. Their limit of validity is given in terms of characteristic frequencies. We can identify with one of these frequencies the frequency range within which data uncorrected for EP may be used to assess the dipole moment of colloidal particles. In order to extract this dipole moment from the measured data, two methods are reviewed: one is based on the use of existing models for the complex conductivity of suspensions, the other is the logarithmic derivative method. An extension to multiple relaxations of the logarithmic derivative method is proposed. PMID:27486575

Electrical Resistivity and Ground Penetrating Radar Investigation of Presence and Extent of Hardpan Soil Layers

NASA Astrophysics Data System (ADS)

Thao, S. J.; Plattner, A.

2015-12-01

Farming in the San Joaquin Valley in central California is often impeded by a shallow rock-hard layer of consolidated soil commonly referred to as hardpan. To be able to successfully farm, this layer, if too shallow, needs to be removed either with explosives or heavy equipment. It is therefore of great value to obtain information about depth and presence of such a layer prior to agricultural operations. We tested the applicability of electrical resistivity tomography and ground penetrating radar in hardpan detection. On our test site of known hardpan depth (from trenching) and local absence (prior dynamiting to plant trees), we successfully recovered the known edge of a hardpan layer with both methods, ERT and GPR. The clay-rich soil significantly reduced the GPR penetration depth but we still managed to map the edges at a known gap where prior dynamiting had removed the hardpan. Electrical resistivity tomography with a dipole-dipole electrode configuration showed a clear conductive layer at expected depths with a clearly visible gap at the correct location. In our data analysis and representation we only used either freely available or in-house written software.

Slip length enhancement in nanofluidic flow using nanotextured superhydrophobic surfaces

DOE PAGES

Heverhagen, Jonas; Checco, Antonio; Tasinkevych, Mykola; ...

2016-06-28

In our study, the development of highly efficient nanofluidic devices necessitates means for enhancing and controlling fluid transport under confinement. We show experimentally that significant interfacial drag reduction in nanoscale channels can be obtained with hydrophobic arrays of conical textures tapering to a radius of less than 10 nanometer at their tip. Finally, this geometry maximizes interfacial slippage by trapping a highly resilient air layer at the solid/liquid interface.

Gas Hydrates of Coal Layers as a Methane Source in the Atmosphere and Mine Working

NASA Astrophysics Data System (ADS)

Dyrdin, Valery; Shepeleva, Sofya; Kim, Tatiana

2017-11-01

Living conditions of gas hydrates of a methane in a coal matrix as one of possible forms of finding of molecules of a methane in coal layers are considered. However, gas hydrates are formed not in all mineral coals even under the thermobaric conditions corresponding to their equilibrium state as the minimum humidity and the corresponding pore width are necessary for each brand of coal for formation of gas hydrate. It is shown that it depends on electric electrical dipole moment of a macromolecule of coal. Coals of brands K, D, Zh were considered. The electric field created by the surface of coal does not allow molecules of water to carry out threedimensional driving, and they keep on an internal surface of a time. By means of theoretical model operation a dipole - dipole interaction of molecules of water with the steam surface of coal values of energy of fiber interaction for various functional groups located in coal "fringe" which size for the first and second layers does not allow molecules of water to participate in formation of gas hydrates are received. For coals of brands K, Zh, D, considering distribution of a time on radiuses, the percent of moisture, which cannot share in education solid coal of gas solutions, is calculated.

Influence of the North Atlantic dipole on climate changes over Eurasia

NASA Astrophysics Data System (ADS)

Serykh, I. V.

2016-11-01

In this paper, some hydrophysical and meteorological characteristics of negative (1948-1976 and 1999-2015) and positive (1977-1998) phases of the Pacific Decadal Oscillation (PDO) and Interdecadal Pacific Oscillation (IPO) in the North Atlantic and Eurasia are constructed and investigated. Specifically, the near-surface temperature, sea-level atmospheric pressure, wind speed, heat content of the upper 700 m ocean layer, water temperature and salinity at various depths, the latent and sensible heat fluxes from the ocean to the atmosphere are analyzed. The fields obtained are in good agreement and complement each other. This gives important information about the hydrometeorological conditions in the region under study. Analysis of these data has shown that in the upper 1000 m North Atlantic layer there is a thermal dipole which can be interpreted as an oceanic analog of the atmospheric North Atlantic Oscillation (NAO). An index of the North Atlantic Dipole (NAD) as the difference between the mean heat contents in the upper 700 m oceanic layer between the regions (50°-70° N; 60°-10° W) and (20°-40° N; 80°-30° W) is proposed. A possible physical mechanism of the internal oscillations with a quasi-60-year period in the North Atlantics- Eurasia system of ocean-atmosphere interactions is discussed.

Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports

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

Xue, Meng; Nakayama, Miki; Liu, Ping

The interfacial electronic structure of various size-selected metal oxide nanoclusters (M 3O x; M = Mo, Nb, Ti) on Cu(111) and a thin film of Cu 2O supports were investigated in this paper by a combination of experimental methods and density functional theory (DFT). These systems explore electron transfer at the metal–metal oxide interface which can modify surface structure, metal oxidation states, and catalytic activity. Electron transfer was probed by measurements of surface dipoles derived from coverage dependent work function measurements using two-photon photoemission (2PPE) and metal core level binding energy spectra from X-ray photoelectron spectroscopy (XPS). The measured surfacemore » dipoles are negative for all clusters on Cu(111) and Cu 2O/Cu(111), but those on the Cu 2O surface are much larger in magnitude. In addition, sub-stoichiometric or “reduced” clusters exhibit smaller surface dipoles on both the Cu(111) and Cu 2O surfaces. Negative surface dipoles for clusters on Cu(111) suggest Cu → cluster electron transfer, which is generally supported by DFT-calculated Bader charge distributions. For Cu 2O/Cu(111), calculations of the surface electrostatic potentials show that the charge distributions associated with cluster adsorption structures or distortions at the cluster–Cu 2O–Cu(111) interface are largely responsible for the observed negative surface dipoles. Changes observed in the XPS spectra for the Mo 3d, Nb 3d, and Ti 2p core levels of the clusters on Cu(111) and Cu 2O/Cu(111) are interpreted with help from the calculated Bader charges and cluster adsorption structures, the latter providing information about the presence of inequivalent cation sites. Finally, the results presented in this work illustrate how the combined use of different experimental probes along with theoretical calculations can result in a more realistic picture of cluster–support interactions and bonding.« less

Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports

DOE PAGES

Xue, Meng; Nakayama, Miki; Liu, Ping; ...

2017-09-13

The interfacial electronic structure of various size-selected metal oxide nanoclusters (M 3O x; M = Mo, Nb, Ti) on Cu(111) and a thin film of Cu 2O supports were investigated in this paper by a combination of experimental methods and density functional theory (DFT). These systems explore electron transfer at the metal–metal oxide interface which can modify surface structure, metal oxidation states, and catalytic activity. Electron transfer was probed by measurements of surface dipoles derived from coverage dependent work function measurements using two-photon photoemission (2PPE) and metal core level binding energy spectra from X-ray photoelectron spectroscopy (XPS). The measured surfacemore » dipoles are negative for all clusters on Cu(111) and Cu 2O/Cu(111), but those on the Cu 2O surface are much larger in magnitude. In addition, sub-stoichiometric or “reduced” clusters exhibit smaller surface dipoles on both the Cu(111) and Cu 2O surfaces. Negative surface dipoles for clusters on Cu(111) suggest Cu → cluster electron transfer, which is generally supported by DFT-calculated Bader charge distributions. For Cu 2O/Cu(111), calculations of the surface electrostatic potentials show that the charge distributions associated with cluster adsorption structures or distortions at the cluster–Cu 2O–Cu(111) interface are largely responsible for the observed negative surface dipoles. Changes observed in the XPS spectra for the Mo 3d, Nb 3d, and Ti 2p core levels of the clusters on Cu(111) and Cu 2O/Cu(111) are interpreted with help from the calculated Bader charges and cluster adsorption structures, the latter providing information about the presence of inequivalent cation sites. Finally, the results presented in this work illustrate how the combined use of different experimental probes along with theoretical calculations can result in a more realistic picture of cluster–support interactions and bonding.« less

Interfacial band-edge engineered TiO2 protection layer on Cu2O photocathodes for efficient water reduction reaction

NASA Astrophysics Data System (ADS)

Choi, Jaesuk; Song, Jun Tae; Jang, Ho Seong; Choi, Min-Jae; Sim, Dong Min; Yim, Soonmin; Lim, Hunhee; Jung, Yeon Sik; Oh, Jihun

2017-01-01

Photoelectrochemical (PEC) water splitting has emerged as a potential pathway to produce sustainable and renewable chemical fuels. Here, we present a highly active Cu2O/TiO2 photocathode for H2 production by enhancing the interfacial band-edge energetics of the TiO2 layer, which is realized by controlling the fixed charge density of the TiO2 protection layer. The band-edge engineered Cu2O/TiO2 (where TiO2 was grown at 80 °C via atomic layer deposition) enhances the photocurrent density up to -2.04 mA/cm2 at 0 V vs. RHE under 1 sun illumination, corresponding to about a 1,200% enhancement compared to the photocurrent density of the photocathode protected with TiO2 grown at 150 °C. Moreover, band-edge engineering of the TiO2 protection layer prevents electron accumulation at the TiO2 layer and enhances both the Faraday efficiency and the stability for hydrogen production during the PEC water reduction reaction. This facile control over the TiO2/electrolyte interface will also provide new insight for designing highly efficient and stable protection layers for various other photoelectrodes such as Si, InP, and GaAs. [Figure not available: see fulltext.

Versatile dual organic interface layer for performance enhancement of polymer solar cells

NASA Astrophysics Data System (ADS)

Li, Zhiqi; Liu, Chunyu; Zhang, Zhihui; Li, Jinfeng; Zhang, Liu; Zhang, Xinyuan; Shen, Liang; Guo, Wenbin; Ruan, Shengping

2016-11-01

The electron transport layer plays a crucial role on determining electron injection and extraction, resulting from the effect of balancing charge transport and reducing the interfacial energy barrier. Decreasing the inherent incompatibility and enhancing electrical contact via employing appropriate buffer layer at the surface of hydrophobic organic active layer and hydrophilic inorganic electrode are also essential for charge collection. Herein, we demonstrate that an efficient dual polyelectrolytes interfacial layer composed of polyethylenimine (PEI) and conducting poly(9,9-dihexylfluorenyl-2,7-diyl) (PDHFD) is incorporated to investigate the interface energetics and electron transport in polymer solar cells (PSCs). The composited PEI/PDHFD interface layer (PPIL) overcomed the low conductivity of bare PEI polymer, which decreased series resistance and facilitated electron extraction at the ITO/PPIL-active layer interface. The introduction of the interface energy state of the PPIL reduced the work function of ITO so that it can mate the top of the valence band of the photoactive materials and promoted the formation of ohmic contact at ITO electrode interface. As a result, the composited PPIL tuned energy alignment and accelerated the electron transfer, leading to significantly increased photocurrent and power conversion efficiency (PCE) of the devices based on various representative polymer:fullerene systems.

Theoretical aspects of photonic band gap in 1D nano structure of LN: MgLN periodic layer

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

Sisodia, Namita, E-mail: namitasisodiya@gmail.com

2015-06-24

By using the transfer matrix method, we have analyzed the photonic band gap properties in a periodic layer of LN:MgLN medium. The Width of alternate layers of LN and MgLN is in the range of hundred nanometers. The birefringent and ferroelectric properties of the medium (i.e ordinary, extraordinary refractive indices and electric dipole moment) is given due considerations in the formulation of photonic band gap. Effect of electronic transition dipole moment of the medium on photonic band gap is also taken into account. We find that photonic band gap can be modified by the variation in the ratio of themore » width of two medium. We explain our findings by obtaining numerical values and the effect on the photonic band gap due to variation in the ratio of alternate medium is shown graphically.« less

Effect of ionic strength on the interfacial viscoelasticity and stability of silk fibroin at the oil/water interface.

PubMed

Tang, Xiaoxiao; Qiao, Xiuying; Miller, Reinhard; Sun, Kang

2016-12-01

The amphiphilic character and surface activity endows silk fibroin with the ability to reside at fluid interfaces and effectively stabilize emulsions. However, the influence of relevant factors and their actual effect on the interfacial viscoelasticity and stability of silk fibroin at the oil/water interface has received less attention. In the present study, the effect of ionic strength on the interfacial viscoelasticity, emulsification effectiveness and stability of silk fibroin at the oil/water interface was investigated in detail. A higher ion concentration facilitates greater adsorption, stronger molecular interaction and faster structure reorganization of silk fibroin at the oil/water interface, thus causing quicker interfacial saturation adsorption, greater interfacial strength and lower interfacial structural fracture on large deformation. However, the presence of concentrated ions screens the charges in silk fibroin molecules and the zeta potential decreases as a result of electrostatic screening and ion-binding effects, which may result in emulsion droplet coalescence and a decrease in emulsion stability. The positively-charged ions significantly affect the interfacial elasticity and stability of silk fibroin layers at the oil/water interface as a result of the strong electrostatic interactions between counter-ions and the negatively-charged groups of silk fibroin. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Sensitivity of polarization fluctuations to the nature of protein-water interactions: Study of biological water in four different protein-water systems

NASA Astrophysics Data System (ADS)

Ghosh, Rikhia; Banerjee, Saikat; Hazra, Milan; Roy, Susmita; Bagchi, Biman

2014-12-01

Since the time of Kirkwood, observed deviations in magnitude of the dielectric constant of aqueous protein solution from that of neat water (˜80) and slower decay of polarization have been subjects of enormous interest, controversy, and debate. Most of the common proteins have large permanent dipole moments (often more than 100 D) that can influence structure and dynamics of even distant water molecules, thereby affecting collective polarization fluctuation of the solution, which in turn can significantly alter solution's dielectric constant. Therefore, distance dependence of polarization fluctuation can provide important insight into the nature of biological water. We explore these aspects by studying aqueous solutions of four different proteins of different characteristics and varying sizes, chicken villin headpiece subdomain (HP-36), immunoglobulin binding domain protein G (GB1), hen-egg white lysozyme (LYS), and Myoglobin (MYO). We simulate fairly large systems consisting of single protein molecule and 20000-30000 water molecules (varied according to the protein size), providing a concentration in the range of ˜2-3 mM. We find that the calculated dielectric constant of the system shows a noticeable increment in all the cases compared to that of neat water. Total dipole moment auto time correlation function of water ⟨δMW(0)δMW(t)⟩ is found to be sensitive to the nature of the protein. Surprisingly, dipole moment of the protein and total dipole moment of the water molecules are found to be only weakly coupled. Shellwise decomposition of water molecules around protein reveals higher density of first layer compared to the succeeding ones. We also calculate heuristic effective dielectric constant of successive layers and find that the layer adjacent to protein has much lower value (˜50). However, progressive layers exhibit successive increment of dielectric constant, finally reaching a value close to that of bulk 4-5 layers away. We also calculate shellwise orientational correlation function and tetrahedral order parameter to understand the local dynamics and structural re-arrangement of water. Theoretical analysis providing simple method for calculation of shellwise local dielectric constant and implication of these findings are elaborately discussed in the present work.

Naphthalene Diimide Based n-Type Conjugated Polymers as Efficient Cathode Interfacial Materials for Polymer and Perovskite Solar Cells.

PubMed

Jia, Tao; Sun, Chen; Xu, Rongguo; Chen, Zhiming; Yin, Qingwu; Jin, Yaocheng; Yip, Hin-Lap; Huang, Fei; Cao, Yong

2017-10-18

A series of naphthalene diimide (NDI) based n-type conjugated polymers with amino-functionalized side groups and backbones were synthesized and used as cathode interlayers (CILs) in polymer and perovskite solar cells. Because of controllable amine side groups, all the resulting polymers exhibited distinct electronic properties such as oxidation potential of side chains, charge carrier mobilities, self-doping behaviors, and interfacial dipoles. The influences of the chemical variation of amine groups on the cathode interfacial effects were further investigated in both polymer and perovskite solar cells. We found that the decreased electron-donating property and enhanced steric hindrance of amine side groups substantially weaken the capacities of altering the work function of the cathode and trap passivation of the perovskite film, which induced ineffective interfacial modifications and declining device performance. Moreover, with further improvement of the backbone design through the incorporation of a rigid acetylene spacer, the resulting polymers substantially exhibited an enhanced electron-transporting property. Upon use as CILs, high power conversion efficiencies (PCEs) of 10.1% and 15.2% were, respectively, achieved in polymer and perovskite solar cells. Importantly, these newly developed n-type polymers were allowed to be processed over a broad thickness range of CILs in photovoltaic devices, and a prominent PCE of over 8% for polymer solar cells and 13.5% for perovskite solar cells can be achieved with the thick interlayers over 100 nm, which is beneficial for roll-to-roll coating processes. Our findings contribute toward a better understanding of the structure-performance relationship between CIL material design and solar cell performance, and provide important insights and guidelines for the design of high-performance n-type CIL materials for organic and perovskite optoelectronic devices.

Probing the Origin of Interfacial Carriers in SrTiO 3$-$LaCrO 3 Superlattices

DOE PAGES

Comes, Ryan B.; Spurgeon, Steven R.; Kepaptsoglou, Despoina M.; ...

2017-01-13

Emergent phenomena at complex oxide interfaces could provide the basis for a wide variety of next-generation devices, including photovoltaics and spintronics. To date, detailed characterization and computational modeling of interfacial defects, cation intermixing, and film stoichiometry have helped to explain many of the novel behaviors observed at a single heterojunction. Unfortunately, many of the techniques employed to characterize a single heterojunction are less effective for a superlattice made up of a repeating series of interfaces that induce collective interfacial phenomena throughout a film. These repeating interfaces present an untapped opportunity to introduce an additional degree of complexity, such as confinedmore » electric fields, that cannot be realized in a single heterojunction. In this work, we explore the properties of SrTiO 3–LaCrO 3 superlattices to understand the role of defects, including variations in cation stoichiometry of individual layers of the superlattice, intermixing across interfaces, and interfacial oxygen vacancies. Using X-ray photoelectron spectroscopy (XPS) and scanning transmission electron microscopy electron energy-loss spectroscopy (STEM-EELS), we quantify the stoichiometry of individual layers of the superlattice and determine the degree of intermixing in these materials. By comparing these results to both density functional theory (DFT) models and STEM-EELS measurements of the Ti and Cr valence in each layer of the superlattice, we correlate different types of defects with the associated materials properties of the superlattice. In conclusion, we show that a combination of ab initio modeling and complementary structural characterization methods can offer unique insight into structure–property relationships in many oxide superlattice systems.« less

Effect of the ordered interfacial water layer in protein complex formation: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander; Sabirianov, Renat

2011-03-01

Using a non-local electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an low-dielectric interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Molecularly "engineered" anode adsorbates for probing OLED interfacial structure-charge injection/luminance relationships: large, structure-dependent effects.

PubMed

Huang, Qinglan; Evmenenko, Guennadi; Dutta, Pulak; Marks, Tobin J

2003-12-03

Molecule-scale structure effects at organic light-emitting diodes (OLED) anode-organic transport layer interfaces are probed via a self-assembly approach. A series of ITO anode-linked silyltriarylamine molecules differing in aryl group and linker density are synthesized for this purpose and used to probe the relationship between nanoscale interfacial chemical structure, charge injection and electroluminescence properties. Dramatic variations in hole injection magnitude and OLED performance can be correlated with the molecular structures and electrochemically derived heterogeneous electron-transfer rates of such triarylamine fragments, placed precisely at the anode-hole transport layer interface. Very bright and efficient ( approximately 70 000 cd/m2 and approximately 2.5% forward external quantum efficiency) OLEDs have thereby been fabricated.

Electrical properties and interfacial issues of high-k/Si MIS capacitors characterized by the thickness of Al{sub 2}O{sub 3} interlayer

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

Wang, Xing; Liu, Hongxia, E-mail: hxliu@mail.xidian.edu.cn; Fei, Chenxi

2016-06-15

A thin Al{sub 2}O{sub 3} interlayer deposited between La{sub 2}O{sub 3} layer and Si substrate was used to scavenge the interfacial layer (IL) by blocking the out-diffusion of substrate Si. Some advantages and disadvantages of this method were discussed in detail. Evident IL reduction corroborated by the transmission electron microscopy results suggested the feasibility of this method in IL scavenging. Significant improvements in oxygen vacancy and leakage current characteristics were achieved as the thickness of Al{sub 2}O{sub 3} interlayer increase. Meanwhile, some disadvantages such as the degradations in interface trap and oxide trapped charge characteristics were also observed.

Double layer of platinum electrodes: Non-monotonic surface charging phenomena and negative double layer capacitance

NASA Astrophysics Data System (ADS)

Huang, Jun; Zhou, Tao; Zhang, Jianbo; Eikerling, Michael

2018-01-01

In this study, a refined double layer model of platinum electrodes accounting for chemisorbed oxygen species, oriented interfacial water molecules, and ion size effects in solution is presented. It results in a non-monotonic surface charging relation and a peculiar capacitance vs. potential curve with a maximum and possibly negative values in the potential regime of oxide-formation.

Detection of Interfacial Debonding in a Rubber–Steel-Layered Structure Using Active Sensing Enabled by Embedded Piezoceramic Transducers

PubMed Central

Feng, Qian; Jiang, Jian; Liang, Yabin; Song, Gangbing

2017-01-01

Rubber–steel-layered structures are used in many engineering applications. Laminated rubber–steel bearing, as a type of seismic isolation device, is one of the most important applications of the rubber–steel-layered structures. Interfacial debonding in rubber–steel-layered structures is a typical failure mode, which can severely reduce their load-bearing capacity. In this paper, the authors developed a simple but effective active sensing approach using embedded piezoceramic transducers to provide an in-situ detection of the interfacial debonding between the rubber layers and steel plates. A sandwiched rubber–steel-layered specimen, consisting of one rubber layer and two steel plates, was fabricated as the test specimen. A novel installation technique, which allows the piezoceramic transducers to be fully embedded into the steel plates without changing the geometry and the surface conditions of the plates, was also developed in this research. The active sensing approach, in which designed stress waves can propagate between a pair of the embedded piezoceramic transducers (one as an actuator and the other one as a sensor), was employed to detect the steel–rubber debonding. When the rubber–steel debonding occurs, the debonded interfaces will attenuate the propagating stress wave, so that the amplitude of the received signal will decrease. The rubber–steel debonding was generated by pulling the two steel plates in opposite directions in a material-testing machine. The changes of the received signal before and after the debonding were characterized in a time domain and further quantified by using a wavelet packet-based energy index. Experiments on the healthy rubber–steel-layered specimen reveal that the piezoceramic-induced stress wave can propagate through the rubber layer. The destructive test on the specimen demonstrates that the piezoceramic-based active sensing approach can effectively detect the rubber–steel debonding failure in real time. The active sensing approach is often used in structures with “hard” materials, such as steel, concrete, and carbon fiber composites. This research lays a foundation for extending the active sensing approach to damage detection of structures involving “soft” materials, such as rubber. PMID:28862666

Detection of Interfacial Debonding in a Rubber-Steel-Layered Structure Using Active Sensing Enabled by Embedded Piezoceramic Transducers.

PubMed

Feng, Qian; Kong, Qingzhao; Jiang, Jian; Liang, Yabin; Song, Gangbing

2017-09-01

Rubber-steel-layered structures are used in many engineering applications. Laminated rubber-steel bearing, as a type of seismic isolation device, is one of the most important applications of the rubber-steel-layered structures. Interfacial debonding in rubber-steel-layered structures is a typical failure mode, which can severely reduce their load-bearing capacity. In this paper, the authors developed a simple but effective active sensing approach using embedded piezoceramic transducers to provide an in-situ detection of the interfacial debonding between the rubber layers and steel plates. A sandwiched rubber-steel-layered specimen, consisting of one rubber layer and two steel plates, was fabricated as the test specimen. A novel installation technique, which allows the piezoceramic transducers to be fully embedded into the steel plates without changing the geometry and the surface conditions of the plates, was also developed in this research. The active sensing approach, in which designed stress waves can propagate between a pair of the embedded piezoceramic transducers (one as an actuator and the other one as a sensor), was employed to detect the steel-rubber debonding. When the rubber-steel debonding occurs, the debonded interfaces will attenuate the propagating stress wave, so that the amplitude of the received signal will decrease. The rubber-steel debonding was generated by pulling the two steel plates in opposite directions in a material-testing machine. The changes of the received signal before and after the debonding were characterized in a time domain and further quantified by using a wavelet packet-based energy index. Experiments on the healthy rubber-steel-layered specimen reveal that the piezoceramic-induced stress wave can propagate through the rubber layer. The destructive test on the specimen demonstrates that the piezoceramic-based active sensing approach can effectively detect the rubber-steel debonding failure in real time. The active sensing approach is often used in structures with "hard" materials, such as steel, concrete, and carbon fiber composites. This research lays a foundation for extending the active sensing approach to damage detection of structures involving "soft" materials, such as rubber.

Communication: Nanoscale electrostatic theory of epistructural fields at the protein-water interface

NASA Astrophysics Data System (ADS)

Fernández, Ariel

2012-12-01

Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.

Communication: Nanoscale electrostatic theory of epistructural fields at the protein-water interface.

PubMed

Fernández, Ariel

2012-12-21

Nanoscale solvent confinement at the protein-water interface promotes dipole orientations that are not aligned with the internal electrostatic field of a protein, yielding what we term epistructural polarization. To quantify this effect, an equation is derived from first principles relating epistructural polarization with the magnitude of local distortions in water coordination causative of interfacial tension. The equation defines a nanoscale electrostatic model of water and enables an estimation of protein denaturation free energies and the inference of hot spots for protein associations. The theoretical results are validated vis-à-vis calorimetric data, revealing the destabilizing effect of epistructural polarization and its molecular origin.

Point force singularities outside a drop covered with an incompressible surfactant: Image systems and their applications

NASA Astrophysics Data System (ADS)

Shaik, Vaseem A.; Ardekani, Arezoo M.

2017-11-01

In this work we derive the image flow fields for point force singularities placed outside a stationary drop covered with an insoluble, nondiffusing, and incompressible surfactant. We assume the interface to be Newtonian and use the Boussinesq-Scriven constitutive law for the interfacial stress tensor. We use this analytical solution to investigate two different problems. First, we derive the mobility matrix for two drops of arbitrary sizes covered with an incompressible surfactant. In the second example, we calculate the velocity of a swimming microorganism (modeled as a Stokes dipole) outside a drop covered with an incompressible surfactant.

Oxidation of silicon with a 5 eV O(-) beam

NASA Technical Reports Server (NTRS)

Hecht, M. H.; Orient, O. J.; Chutjian, A.; Vasquez, R. P.

1989-01-01

A silicon wafer has been oxidized at room temperature in vacuum using a pure, ground-state beam of O(-) ions. The beam was of sufficiently low energy that no displacement damage or implantation was energetically possible. The resulting SiO2 films were analyzed with X-ray photoelectron spectroscopy. A logarithmic dependence of oxide thickness on dose was observed, with an extrapolated oxidation efficiency of unity for the clean silicon surface. A distinct initial oxidation phase was observed, with an anomalously high level of silicon suboxides. In addition, the valence-band offset between the silicon and the oxide was unusually small, suggesting a large interfacial dipole.

Inversion of ferrimagnetic magnetization by ferroelectric switching via a novel magnetoelectric coupling

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

Weng, Yakui; Lin, Lingfang; Dagotto, Elbio

2016-07-12

Although several multiferroic materials or heterostructures have been extensively studied, finding strong magnetoelectric couplings for the electric field control of the magnetization remains challenging. Here, a novel interfacial magnetoelectric coupling based on three components (ferroelectric dipole, magnetic moment, and antiferromagnetic order) is analytically formulated. As an extension of carrier-mediated magnetoelectricity, the new coupling is shown to induce an electric-magnetic hysteresis loop. In addition, realizations employing BiFeO 3 bilayers grown along the [111] axis are proposed. Without involving magnetic phase transitions, the magnetization orientation can be switched by the carrier modulation driven by the field effect, as confirmed using first-principles calculations.