Indium vacancy induced d0 ferromagnetism in Li-doped In2O3 nanoparticles

NASA Astrophysics Data System (ADS)

Cao, Haiming; Xing, Pengfei; Zhou, Wei; Yao, Dongsheng; Wu, Ping

2018-04-01

Li-doped In2O3 nanoparticles with room temperature d0 ferromagnetism were prepared by a sol-gel method. X-ray diffraction, X-ray photoelectron spectroscopy and photoluminescence were carried out to investigate the effects of Li incorporation on the lattice defects. As the content of Li increases, non-monotonic changes in shifts of XRD peak (2 2 2) and the intensity ratios of indium vacancies related photoluminescence peak (PII) with respect to oxygen vacancies related peak (PI) are observed. Results show that at low doping level (≤2 at.%) Li prefers to occupy In sites, while with further doping the interstitial sites are more favorable for Li. Combined with the consistent non-monotonic change in saturation magnetization, we think that indium vacancies resulting from Li-doping play an important role in inducing d0 ferromagnetism in our Li-doped In2O3 nanoparticles, and the FM coupling is mainly mediated by the LiIn-ONN-VIn-ONN-LiIn chains.

Preparation of Ce- and La-Doped Li4Ti5O12 Nanosheets and Their Electrochemical Performance in Li Half Cell and Li4Ti5O12/LiFePO4 Full Cell Batteries

PubMed Central

Qin, Meng; Li, Yueming; Lv, Xiao-Jun

2017-01-01

This work reports on the synthesis of rare earth-doped Li4Ti5O12 nanosheets with high electrochemical performance as anode material both in Li half and Li4Ti5O12/LiFePO4 full cell batteries. Through the combination of decreasing the particle size and doping by rare earth atoms (Ce and La), Ce and La doped Li4Ti5O12 nanosheets show the excellent electrochemical performance in terms of high specific capacity, good cycling stability and excellent rate performance in half cells. Notably, the Ce-doped Li4Ti5O12 shows good electrochemical performance as anode in a full cell which LiFePO4 was used as cathode. The superior electrochemical performance can be attributed to doping as well as the nanosized particle, which facilitates transportation of the lithium ion and electron transportation. This research shows that the rare earth doped Li4Ti5O12 nanosheets can be suitable as a high rate performance anode material in lithium-ion batteries. PMID:28632167

Photoelectrochemical properties of highly mobilized Li-doped ZnO thin films.

PubMed

Shinde, S S; Bhosale, C H; Rajpure, K Y

2013-03-05

Li-doped ZnO thin films with preferred (002) orientation have been prepared by spray pyrolysis technique in aqueous medium on to the corning glass substrates. The effect of Li-doping on to the photoelectrochemical, structural, morphological, optical, luminescence, electrical and thermal properties has been investigated. XRD and Raman study indicates that the films have hexagonal crystal structure. The transmittance, reflectance, refractive index, extinction coefficient and bandgap have been analyzed by optical study. PL spectra consist of a near band edge and visible emission due to the electronic defects, which are related to deep level emissions, such as oxide antisite (OZn), interstitial zinc (Zni), interstitial oxygen (Oi) and zinc vacancy (VZn). The Li-doped ZnO films prepared for 1at% doping possesses the highest electron mobility of 102cm(2)/Vs and carrier concentration of 3.62×10(19)cm(-3). Finally, degradation of 2,4,6-Trinitrotoluene using Li-doped ZnO thin films has been reported. Copyright © 2013 Elsevier B.V. All rights reserved.

Tailoring the thermostability and hydrogen storage capacity of Li decorated carbon materials by heteroatom doping

NASA Astrophysics Data System (ADS)

Long, Jun; Li, Jieyuan; Nan, Fang; Yin, Shi; Li, Jianjun; Cen, Wanglai

2018-03-01

Li decorated graphene is supposed to be a promising material for the hydrogen storage, which can be further improved by heteroatom doping. But a unified promoting mechanism for various doping types and species are still lacking, which hinders the rational design of advanced materials. The potential of N/B doped Li decorated graphene for hydrogen storage is investigated with DFT calculations. A covalent interaction between Li and the graphene substrates is identified to control the thermostability and hydrogen storage capacity (HSC) of the Li decorated substrate, which is in turn subject to the electronegativity of doping species and the doping types. Additionally, a conceptual descriptor is proposed to predict the HSC of Li decorated graphene. These results provide a unified explanation and prediction of the effects of heteroatom doping on Li decorated carbon materials for hydrogen storage.

Li 2S encapsulated by nitrogen-doped carbon for lithium sulfur batteries

DOE PAGES

Chen, Lin; Liu, Yuzi; Ashuri, Maziar; ...

2014-09-26

Using high-energy ball milling of the Li 2S plus carbon black mixture followed by carbonization of pyrrole, we have established a facile approach to synthesize Li 2S-plus-C composite particles of average size 400 nm, encapsulated by a nitrogen-doped carbon shell. Such an engineered core–shell structure exhibits an ultrahigh initial discharge specific capacity (1029 mAh/g), reaching 88% of the theoretical capacity (1,166 mAh/g of Li 2S) and thus offering the highest utilization of Li 2S in the cathode among all of the reported works for the encapsulated Li 2S cathodes. This Li 2S/C composite core with a nitrogen-doped carbon shell canmore » still retain 652 mAh/g after prolonged 100 cycles. These superior properties are attributed to the nitrogen-doped carbon shell that can improve the conductivity to enhance the utilization of Li 2S in the cathode. As a result, fine particle sizes and the presence of carbon black within the Li 2S core may also play a role in high utilization of Li 2S in the cathode.« less

Microstructural and optical properties of Mn doped NiO nanostructures synthesized via sol-gel method

NASA Astrophysics Data System (ADS)

Shah, Shamim H.; Khan, Wasi; Naseem, Swaleha; Husain, Shahid; Nadeem, M.

2018-04-01

Undoped and Mn(0, 5%, 10% and 15%) doped NiO nanostructures were synthesized by sol-gel method. Structure, morphology and optical properties were investigated through XRD, FTIR, SEM/EDS and UV-visible absorption spectroscopy techniques. XRD data analysis reveals the single phase nature with cubic crystal symmetry of the samples and the average crystallite size decreases with the doping of Mn ions upto 10%. FTIR spectra further confirmed the purity and composition of the synthesized samples. The non-spherical shape of the nanostructures was observed from SEM micrographs and gain size of the nanostructures reduces with Mn doping in NiO, whereas agglomeration increases in doped sample. Optical band gap was estimated using Tauc'srelation and found to increase on incorporation of Mn upto 10% in host lattice and then decreases for further doping.

Rapid growth and photoluminescence properties of doped ZnS one-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Zhuo, R. F.; Feng, H. T.; Yan, D.; Chen, J. T.; Feng, J. J.; Liu, J. Z.; Yan, P. X.

2008-06-01

In this paper we report the synthesis of doped ZnS one-dimensional (1D) nanostructures by well-established technique of chemical vapor deposition using Zn and S powder as precursors. The ZnS 1D nanostructures were grown on the surface of Au particle-filled anodic aluminum oxide templates, catalyst-free graphite sheets and silicon substrates. ZnS 1D nanostructures with Mn, Cu and Fe as dopants were prepared via a rapid process of 15-20 min. The morphologies of ZnS nanostructures synthesized on different substrates and at different growth temperatures have distinct dissimilarities. The size of ZnS nanowires originated from the Au catalysts could be varied by altering the size of membrane nanopores as well as the embedded Au particles. Room-temperature photoluminescence measurements reveal strong blue, green and yellow-orange light emissions from the doped ZnS 1D nanostructures.

Doping Li-rich cathode material Li2MnO3 : Interplay between lattice site preference, electronic structure, and delithiation mechanism

NASA Astrophysics Data System (ADS)

Hoang, Khang

2017-12-01

We report a detailed first-principles study of doping in Li2MnO3 , in both the dilute doping limit and heavy doping, using hybrid density-functional calculations. We find that Al, Fe, Mo, and Ru impurities are energetically most favorable when incorporated into Li2MnO3 at the Mn site, whereas Mg is most favorable when doped at the Li sites. Nickel, on the other hand, can be incorporated at the Li site and/or the Mn site, and the distribution of Ni over the lattice sites can be tuned by tuning the material preparation conditions. There is a strong interplay among the lattice site preference and charge and spin states of the dopant, the electronic structure of the doped material, and the delithiation mechanism. The calculated electronic structure and voltage profile indicate that in Ni-, Mo-, or Ru-doped Li2MnO3 , oxidation occurs on the electrochemically active transition-metal ion(s) before it does on oxygen during the delithiation process. The role of the dopants is to provide charge compensation and bulk electronic conduction mechanisms in the initial stages of delithiation, hence enabling the oxidation of the lattice oxygen in the later stages. This work thus illustrates how the oxygen-oxidation mechanism can be used in combination with the conventional mechanism involving transition-metal cations in design of high-capacity battery cathode materials.

Optically pumped cerium-doped LiSrAlF.sub.6 and LiCaAlF.sub.6

DOEpatents

Marshall, Christopher D.; Payne, Stephen A.; Krupke, William F.

1996-01-01

Ce.sup.3+ -doped LiSrAlF.sub.6 crystals are pumped by ultraviolet light which is polarized along the c axis of the crystals to effectively energize the laser system. In one embodiment, the polarized fourth harmonic light output from a conventional Nd:YAG laser operating at 266 nm is arranged to pump Ce:LiSrAlF.sub.6 with the pump light polarized along the c axis of the crystal. The Ce:LiSrAlF.sub.6 crystal may be placed in a laser cavity for generating tunable coherent ultraviolet radiation in the range of 280-320 nm. Additionally, Ce-doped crystals possessing the LiSrAlF.sub.6 type of chemical formula, e.g. Ce-doped LiCaAlF.sub.6 and LiSrGaF.sub.6, can be used. Alternative pump sources include an ultraviolet-capable krypton or argon laser, or ultraviolet emitting flashlamps. The polarization of the pump light will impact operation. The laser system will operate efficiently when light in the 280-320 nm gain region is injected or recirculated in the system such that the beam is also polarized along the c axis of the crystal. The Ce:LiSrAlF.sub.6 laser system can be configured to generate ultrashort pulses, and it may be used to pump other devices, such as an optical parametric oscillator.

Effects of substitutional Li on the ferromagnetic response of Li co-doped ZnO:Co nanoparticles.

PubMed

Awan, Saif Ullah; Hasanain, S K; Bertino, Massimo F; Jaffari, G Hassnain

2013-04-17

Li co-doped ZnO:Co (Zn0.96-yCo0.04LiyO , y ≤ 0.1) nanoparticles were synthesized by the sol-gel technique and the correlation between the structural, electronic and magnetic properties was investigated. All the samples show a single phase hexagonal (wurtzite) ZnO structure and no secondary phases were detected. Variational trends in lattice parameters suggest the incorporation of Li in the ZnO:Co system in both substitutional and interstitial sites. Detailed electronic studies have been performed by high-resolution x-ray photoelectron spectroscopy (XPS) to determine the states of Zn, O, Co and Li. It was determined that Co substitutes at Zn sites (CoZn) while the O vacancy and Zn defects did not show much variation with increasing Li concentration. Deconvolution of the Li XPS peak showed a clear non-monotonic trend in the variation of the substitutional Li (LiZn) and interstitial Li (Lii) defects with increasing Li concentration in the particles. The magnetization study of the samples showed that the variation of the moment closely followed the trend of variation of the LiZn defects. The data are interpreted in terms of substitutional Li acting as a hole dopant and optimizing the conditions for ferromagnetism in Co-doped ZnO. Interstitial Li is not seen to be playing this role.

Effect of Eu3+ doping on the structural, morphological and luminescence properties ZnO nanostructures

NASA Astrophysics Data System (ADS)

Vinoditha, U.; Balakrishna, K. M.; Sarojini, B. K.; Narayana, B.; Kumara, K.

2018-05-01

Pure and Eu3+ ions (1, 3, 5 atomic wt%) doped ZnO nanostructures are synthesized by a surfactant assisted hydrothermal method. The effect of doping concentrations on structural, morphological and optical properties of ZnO nanostructures is studied. The XRD analysis shows good crystallinity and the phase purity of the ZnO nanostructures. A shift in the standard Zn-O stretching mode after Eu3+ doping is observed in the FTIR spectra. The images of FESEM demonstrate the morphological variations from hexagonal nanorods to nanoflowers on varying the dopant concentrations. Substitution of Eu3+ ions into Zn2+ sites is confirmed by EDX analysis. The dominance of particle shape over the UV-Visible absorption properties of the prepared samples is noticed. The photoluminescence (PL) emission of undoped and doped ZnO nanostructures show dominant near band edge emission (NBE) in the UV region and minor defect induced deep level emissions in the visible region.

Nanostructured SnSe: Synthesis, doping, and thermoelectric properties

NASA Astrophysics Data System (ADS)

Liu, Shuhao; Sun, Naikun; Liu, Mei; Sucharitakul, Sukrit; Gao, Xuan P. A.

2018-03-01

IV-VI monochalcogenide SnSe or SnS has recently been proposed as a promising two-dimensional (2D) material for valleytronics and thermoelectrics. We report the synthesis of SnSe nanoflakes and nanostructured thin films with chemical vapor deposition method and their thermoelectric properties. As grown SnSe nanostructures are found to be intrinsically p-type and the single SnSe nanoflake field effect transistor was fabricated. By Ag doping, the power factor of SnSe nanostructured thin films can be improved by up to one order of magnitude compared to the "intrinsic" as grown materials. Our work provides an initial step in the pursuit of IV-VI monochalcogenides as novel 2D semiconductors for electronics and thermoelectrics.

Nitrate-assisted photocatalytic efficiency of defective Eu-doped Pr(OH)3 nanostructures.

PubMed

Aškrabić, S; Araújo, V D; Passacantando, M; Bernardi, M I B; Tomić, N; Dojčinović, B; Manojlović, D; Čalija, B; Miletić, M; Dohčević-Mitrović, Z D

2017-12-06

Pr(OH) 3 one-dimensional nanostructures are a less studied member of lanthanide hydroxide nanostructures, which recently demonstrated an excellent adsorption capacity for organic pollutant removal from wastewater. In this study, Pr 1-x Eu x (OH) 3 (x = 0, 0.01, 0.03, and 0.05) defective nanostructures were synthesized by a facile and scalable microwave-assisted hydrothermal method using KOH as an alkaline metal precursor. The phase and surface composition, morphology, vibrational, electronic and optical properties of the as-prepared samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), inductively coupled plasma optical emission spectrometry (ICP-OES), transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM), Raman, infrared (IR), photoluminescence (PL), and diffuse reflectance spectroscopy (DRS). It was deduced that the incorporation of Eu 3+ ions promoted the formation of oxygen vacancies in the already defective Pr(OH) 3 , subsequently changing the Pr(OH) 3 nanorod morphology. The presence of KNO 3 phase was registered in the Eu-doped samples. The oxygen-deficient Eu-doped Pr(OH) 3 nanostructures displayed an improved photocatalytic activity in the removal of reactive orange (RO16) dye under UV-vis light irradiation. An enhanced photocatalytic activity of the Eu-doped Pr(OH) 3 nanostructures was caused by the synergetic effect of oxygen vacancies and Eu 3+ (NO 3 - ) ions present on the Pr(OH) 3 surface, the charge separation efficiency and the formation of the reactive radicals. In addition, the 3% Eu-doped sample exhibited very good adsorptive properties due to different morphology and higher electrostatic attraction with the anionic dye. Pr 1-x Eu x (OH) 3 nanostructures with the possibility of tuning their adsorption/photocatalytic properties present a great potential for wastewater treatment.

Digital Mammography Breast Dosimetry Using Copper-Doped Lithium Fluoride (LiF:MCP) Thermoluminescent Dosimeters (TLDs)

DTIC Science & Technology

2003-06-18

Mammography Breast Dosimetry Using Copper-Doped Lithium Fluoride (LiF:MCP) Thermoluminescent Dosimeters ( TLDs ) 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c...34Digital Mammography Breast Dosimetry Using Copper- Doped Lithium Fluoride (LiF:MCP) Thermoluminescent Dosimeters ( TLDs )" Author: LT John J. Tomon...Title of Thesis: " Digital Mammography Breast Dosimetry Using Copper-Doped Lithium Fluoride (LiF:MCP) Thermoluminescent

Y-doped Li 8ZrO 6: A Li-Ion Battery Cathode Material with High Capacity

DOE PAGES

Huang, Shuping; Wilson, Benjamin E.; Wang, Bo; ...

2015-08-11

We study—experimentally and theoretically—the energetics, structural changes, and charge flows during the charging and discharging processes for a new high-capacity cathode material, Li 8ZrO 6 (LZO), which we study both pure and yttrium-doped. We quantum mechanically calculated the stable delithiated configurations, the delithiation energy, the charge flow during delithiation, and the stability of the delithiated materials. We find that Li atoms are easier to extract from tetrahedral sites than octahedral ones. We calculate a large average voltage of 4.04 eV vs Li/Li + for delithiation of the first Li atom in a primitive cell, which is confirmed by galvanostatic charge/dischargemore » cycling data. Energy calculations indicate that topotactic delithiation is kinetically favored over decomposition into Li, ZrO 2, and O 2 during the charging process, although the thermodynamic energy of the topotactic reaction is less favorable. When one or two lithium atoms are extracted from a primitive cell of LZO, its volume and structure change little, whereas extraction of the third lithium greatly distorts the layered structure. The Li 6ZrO 6 and Li 5ZrO 6 delithiation products can be thermodynamically metastable to release of O 2. Experimentally, materials with sufficiently small particle size for efficient delithiation and relithiation were achieved within an yttrium-doped LZO/carbon composite cathode that exhibited an initial discharge capacity of at least 200 mAh/g over the first 10 cycles, with 142 mAh/g maintained after 60 cycles. Computations predict that during the charging process, the oxygen ion near the Li vacancy is oxidized for both pure LZO and yttrium-doped LZO, which leads to a small-polaron hole.« less

Y-doped Li 8ZrO 6: A Li-Ion Battery Cathode Material with High Capacity

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

Huang, Shuping; Wilson, Benjamin E.; Wang, Bo

We study—experimentally and theoretically—the energetics, structural changes, and charge flows during the charging and discharging processes for a new high-capacity cathode material, Li 8ZrO 6 (LZO), which we study both pure and yttrium-doped. We quantum mechanically calculated the stable delithiated configurations, the delithiation energy, the charge flow during delithiation, and the stability of the delithiated materials. We find that Li atoms are easier to extract from tetrahedral sites than octahedral ones. We calculate a large average voltage of 4.04 eV vs Li/Li + for delithiation of the first Li atom in a primitive cell, which is confirmed by galvanostatic charge/dischargemore » cycling data. Energy calculations indicate that topotactic delithiation is kinetically favored over decomposition into Li, ZrO 2, and O 2 during the charging process, although the thermodynamic energy of the topotactic reaction is less favorable. When one or two lithium atoms are extracted from a primitive cell of LZO, its volume and structure change little, whereas extraction of the third lithium greatly distorts the layered structure. The Li 6ZrO 6 and Li 5ZrO 6 delithiation products can be thermodynamically metastable to release of O 2. Experimentally, materials with sufficiently small particle size for efficient delithiation and relithiation were achieved within an yttrium-doped LZO/carbon composite cathode that exhibited an initial discharge capacity of at least 200 mAh/g over the first 10 cycles, with 142 mAh/g maintained after 60 cycles. Computations predict that during the charging process, the oxygen ion near the Li vacancy is oxidized for both pure LZO and yttrium-doped LZO, which leads to a small-polaron hole.« less

Magnetic phase investigations on fluorine (F) doped LiFePO4

NASA Astrophysics Data System (ADS)

Radhamani, A. V.

2018-03-01

LiFePO4 (LFP) is a very promising cathode material for Li-ion batteries due to its high thermal stability, less toxicity and high theoretical capacity (170 mAh g-1). Anion doping, especially fluorine (F) at the oxygen site is one way to improve the low electronic conductivity of the material. In this line, fluorine doped LFP was prepared at different fluorine concentrations (1 to 40 mol%) to study the structural, spectroscopic and magnetic properties in view of the material property optimization for battery applications. The investigation of the magnetic properties was found to be successful for the determination of small amounts of magnetic impurities which were not noticeably observed from structural characterizations. Determination of conducting magnetic impurities has its own relevance in the current scenario of Li-ion based battery applications. Systematic characterization studies along with the implications of magnetic phases on the material activity of fluorine doped LiFePO4 nanoparticles will be discussed in detail.

Structural transition in Mg-doped LiMn 2O 4: a comparison with other M-doped Li-Mn spinels

NASA Astrophysics Data System (ADS)

Capsoni, Doretta; Bini, Marcella; Chiodelli, Gaetano; Massarotti, Vincenzo; Mozzati, Maria Cristina; Azzoni, Carlo B.

2003-01-01

The charge distribution in the Mg-doped lithium manganese spinel Li 1.02Mg xMn 1.98- xO 4 with 0.00< x≤0.20 is discussed and compared to those pertinent to other M-doped samples (M=Ni 2+, Co 3+, Cr 3+, Al 3+ and Ga 3+). EPR spectra, low temperature X-ray diffraction and conductivity data are related to the cooperative Jahn-Teller (J-T) transition occurring at about 280 K in the undoped sample. The sensitivity of the cationic sublattice in displaying electronic and magnetic changes after substitution is remarked. The inhibition of the J-T transition is related to the ratio r=|Mn 4+|/|Mn 3+| as deduced from the charge distribution model [Li 1- xt+Mg xt2+] tetr[Li y+ xt+Mg xo2+Mn 1-3 y-2 x3+Mn 1+2 y+ x4+] octa where x= xo+ xt. For y=0.02 and x=0.02, a value r=1.177 is obtained, very close to rlim=1.18, the limit value beyond which the transition is inhibited.

Optically pumped cerium-doped LiSrAlF{sub 6} and LiCaAlF{sub 6}

DOEpatents

Marshall, C.D.; Payne, S.A.; Krupke, W.F.

1996-05-14

Ce{sup 3+}-doped LiSrAlF{sub 6} crystals are pumped by ultraviolet light which is polarized along the c axis of the crystals to effectively energize the laser system. In one embodiment, the polarized fourth harmonic light output from a conventional Nd:YAG laser operating at 266 nm is arranged to pump Ce:LiSrAlF{sub 6} with the pump light polarized along the c axis of the crystal. The Ce:LiSrAlF{sub 6} crystal may be placed in a laser cavity for generating tunable coherent ultraviolet radiation in the range of 280-320 nm. Additionally, Ce-doped crystals possessing the LiSrAlF{sub 6} type of chemical formula, e.g. Ce-doped LiCaAlF{sub 6} and LiSrGaF{sub 6}, can be used. Alternative pump sources include an ultraviolet-capable krypton or argon laser, or ultraviolet emitting flashlamps. The polarization of the pump light will impact operation. The laser system will operate efficiently when light in the 280-320 nm gain region is injected or recirculated in the system such that the beam is also polarized along the c axis of the crystal. The Ce:LiSrAlF{sub 6} laser system can be configured to generate ultrashort pulses, and it may be used to pump other devices, such as an optical parametric oscillator. 10 figs.

Li-Doped Ionic Liquid Electrolytes: From Bulk Phase to Interfacial Behavior

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Lawson, John W.

2016-01-01

Ionic liquids have been proposed as candidate electrolytes for high-energy density, rechargeable batteries. We present an extensive computational analysis supported by experimental comparisons of the bulk and interfacial properties of a representative set of these electrolytes as a function of Li-salt doping. We begin by investigating the bulk electrolyte using quantum chemistry and ab initio molecular dynamics to elucidate the solvation structure of Li(+). MD simulations using the polarizable force field of Borodin and coworkers were then performed, from which we obtain an array of thermodynamic and transport properties. Excellent agreement is found with experiments for diffusion, ionic conductivity, and viscosity. Combining MD simulations with electronic structure computations, we computed the electrochemical window of the electrolytes across a range of Li(+)-doping levels and comment on the role of the liquid environment. Finally, we performed a suite of simulations of these Li-doped electrolytes at ideal electrified interfaces to evaluate the differential capacitance and the equilibrium Li(+) distribution in the double layer. The magnitude of differential capacitance is in good agreement with our experiments and exhibits the characteristic camel-shaped profile. In addition, the simulations reveal Li(+) to be highly localized to the second molecular layer of the double layer, which is supported by additional computations that find this layer to be a free energy minimum with respect to Li(+) translation.

Nanostructured MnO2-Based Cathodes for Li-Ion/Polymer Cells

NASA Technical Reports Server (NTRS)

Skandan, Ganesh; Singhal, Amit

2005-01-01

Nanostructured MnO2-based cathodes for Li-ion/polymer electrochemical cells have been investigated in a continuing effort to develop safe, high-energy-density, reliable, low-toxicity, rechargeable batteries for a variety of applications in NASA programs and in mass-produced commercial electronic equipment. Whereas the energy densities of state-of-the-art lithium-ion/polymer batteries range from 150 to 175 W h/kg, the goal of this effort is to increase the typical energy density to about 250 W h/kg. It is also expected that an incidental benefit of this effort will be increases in power densities because the distances over which Li ions must diffuse through nanostructured cathode materials are smaller than those through solid bulk cathode materials.

Li-doped MgO as catalysts for oxidative coupling of methane: A positron annihilation study

NASA Astrophysics Data System (ADS)

Dai, G. H.; Yan, Q. J.; Wang, Y.; Liu, Q. S.

1991-08-01

Magnesium oxides intentionally doped with lithium (with a maximum Li content of 40 tool%) for use as catalysts for oxidative coupling of methane were characterized by means of positron annihilation. The positron lifetime spectra, which could be reasonably well interpreted within the framework of the well-known trapping model, depend on the amount of Li doping of the MgO suggesting that positrons are trapped at dispersed small Li 2CO 3 precipitates. Very similar dependencies on lithium doping of the C 2 selectivity and the positron trapping rate ϰ imply an intimate relationship between the concentration of [Li] 0-centers (also referred to as [Li +O -] centers) and the selective activity of Li/MgO during catalytic reactions.

Dual Heteroatom-Doped Carbon Nanofoam-Wrapped Iron Monosulfide Nanoparticles: An Efficient Cathode Catalyst for Li-O2 Batteries.

PubMed

Ramakrishnan, Prakash; Shanmugam, Sangaraju; Kim, Jae Hyun

2017-04-10

Cost-effective dual heteroatom-doped 3D carbon nanofoam-wrapped FeS nanoparticles (NPs), FeS-C, act as efficient bifunctional catalysts for Li-O 2 batteries. This cathode exhibits a maximum deep discharge capacity of 14 777.5 mA h g -1 with a 98.1 % columbic efficiency at 0.1 mA cm -2 . The controlled capacity (500 mA h g -1 ) test of this cathode delivers a minimum polarization gap of 0.73 V at 0.1 mA cm -2 and is sustained for 100 cycles with an energy efficiency of approximately 64 % (1st cycle) and 52 % (100th cycle) at 0.3 mA cm -2 , under the potential window of 2.0-4.5 V. X-ray photoelectron spectroscopy reveals the substantial reversible formation and complete decomposition of Li 2 O 2 . The excellent recharging ability, high rate performance, and cycle stability of this catalyst is attributed to the synergistic effect of FeS catalytic behavior and textural properties of heteroatom-doped carbon nanostructures. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Pulse-Shape Analysis of Neutron-Induced Scintillation Light in Ni-doped 6LiF/ZnS

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

Cowles, Christian C.; Behling, Richard S.; Imel, G. R.

Abstract–Alternatives to 3He are being investigated for gamma-ray insensitive neutron detection applications, including plutonium assay. One promising material is lithium-6 fluoride with silver activated zinc sulfide 6LiF/ZnS(Ag) in conjunction with a wavelength shifting plastic. Doping the 6LiF/ZnS(Ag) with nickel (Ni) has been proposed as a means of reducing the decay time of neutron signal pulses. This research performed a pulse shape comparison between Ni-doped and non-doped 6LiF/ZnS(Ag) neutron pulses. The Ni-doped 6LiF/ZnS(Ag) had a 32.7% ± 0.3 increase in neutron pulse height and a 32.4% ± 0.3 decrease in neutron pulse time compared to the non-doped 6LiF/ZnS(Ag). Doping 6LiF/ZnS(Ag) withmore » nickel may allow neutron detector operation with improved signal to noise ratios, and reduced pulse pileup affects, increasing the accuracy and range of source activities with which such a detector could operate.« less

Nanostructured LiMn2O4 composite as high-rate cathode for high performance aqueous Li-ion hybrid supercapacitors

NASA Astrophysics Data System (ADS)

Chen, Lina; Zhai, Wei; Chen, Long; Li, Deping; Ma, Xiaoxin; Ai, Qing; Xu, Xiaoyan; Hou, Guangmei; Zhang, Lin; Feng, Jinkui; Si, Pengchao; Ci, Lijie

2018-07-01

Nanostructured spinel LiMn2O4 and super P composite with much enhanced electrochemical performance especially ultrahigh rate capability as the cathode for aqueous hybrid supercapacitors is synthesized by ball milling commercial LiMn2O4 particles together with super P. The as-prepared composite delivers a high capacitance of 306 F g-1 at the current density of 1 A g-1 and superb rate ability of 228.6 F g-1 at 40 A g-1 in 1 M Li2SO4 aqueous electrolyte. The capacitance of the nanostructured composite is 3.5 times higher than that of pristine LiMn2O4 even being charged and discharged 80 times faster. The excellent performances are ascribed to the nanosized LiMn2O4 well dispersed into the conductive carbon matrix. LiMn2O4 and super P composite//active carbon hybrid supercapacitor is assembled and the energy density can reach up to 21.58 Wh kg-1 at 293.16 W kg-1 and 13 Wh kg-1 at 5200 W kg-1. The hybrid device also shows an excellent cycling performance, which retains 85% of the initial capacitance after 4500 cycles. This work provides an effectively facile way to produce high performance LiMn2O4-based cathodes for hybrid suercapacitors in practical applications.

Research in LPE of Doped LiNbO3 and LiTaO3 Thin Films.

DTIC Science & Technology

1981-06-01

garnet films grown on single crystal garnet substrates by the LPE technique for magnetic bubble applica- tions. The choice of substrate and film are...AD-Al07 686 ROCKWELL INTERNATIONAL THOUSAND OAKS CA ELECTRONICS -EUTC F/G 2RESEARCH IN LPE OF DOPED LINBO3 AND LITA03 THIN FILMS .(U JUN Al R R NEUR...Research in LPE of Doped LiNbO3 and LiTa03 Final Report Thin Films 04/01/77 through 03/31/81 6. PERFORMING ORG. REPORT NUM9ER ERC41004.11FR 7. AUTNOR

Structural and optical properties of cobalt doped multiferroics BiFeO3 nanostructure thin films

NASA Astrophysics Data System (ADS)

Prasannakumara, R.; Naik, K. Gopalakrishna

2018-05-01

Bismuth ferrite (BiFeO3) and Cobalt doped BiFeO3 (BiFe1-XCoXO3) nanostructure thin films were deposited on glass substrates by the sol-gel spin coating method. The X-ray diffraction patterns (XRD) of the grown BiFeO3 and BiFe1-XCoXO3 nanostructure thin films showed distorted rhombohedral structure. The shifting of peaks to higher angles was observed in cobalt doped BiFeO3. The surface morphology of the BiFeO3 and BiFe1-XCoXO3 nanostructure thin films were studied using FESEM, an increase in grain size was observed as Co concentration increases. The thickness of the nanostructure thin films was examined using FESEM cross-section. The EDX studies confirmed the elemental composition of the grown BiFeO3 and BiFe1-XCoXO3 nanostructure thin films. The optical characterizations of the grown nanostructure thin films were carried out using FTIR, it confirms the existence of Fe-O and Bi-O bands and UV-Visible spectroscopy shows the increase in optical band gap of the BiFeO3 nanostructure thin films with Co doping by ploting Tauc plot.

Electrochemical synthesis of nanostructured Se-doped SnS: Effect of Se-dopant on surface characterizations

NASA Astrophysics Data System (ADS)

Kafashan, Hosein; Azizieh, Mahdi; Balak, Zohre

2017-07-01

SnS1-xSex nanostructures with different Se-dopant concentrations were deposited on fluorine doped tin oxide (FTO) substrate through cathodic electrodeposition technique. The pH, temperature, applied potential (E), and deposition time remained were 2.1, 60 °C, -1 V, and 30 min, respectively. SnS1-xSex nanostructures were characterized using X-ray diffraction (XRD), field emission scanning electron microcopy (FESEM), energy dispersive X-ray spectroscopy (EDX), room temperature photoluminescence (PL), and UV-vis spectroscopy. The XRD patterns revealed that the SnS1-xSex nanostructures were polycrystalline with orthorhombic structure. FESEM showed various kinds of morphologies in SnS1-xSex nanostructures due to Se-doping. PL and UV-vis spectroscopy were used to evaluate the optical properties of SnS1-xSex thin films. The PL spectra of SnS1-xSex nanostructures displayed four emission peaks, those are a blue, a green, an orange, and a red emission. UV-vis spectra showed that the optical band gap energy (Eg) of SnS1-xSex nanostructures varied between 1.22-1.65 eV, due to Se-doping.

Synthesis and superconductivity of In-doped SnTe nanostructures

DOE PAGES

Kumaravadivel, Piranavan; Pan, Grace A.; Zhou, Yu; ...

2017-07-01

In xSn 1-xTe is a time-reversal invariant candidate 3D topological superconductor derived from doping the topological crystalline insulator SnTe with indium. The ability to synthesize low-dimensional nanostructures of indium-doped SnTe is key for realizing the promise they hold in future spintronic and quantum information processing applications. But hitherto only bulk synthesized crystals and nanoplates have been used to study the superconducting properties. Here for the first time we synthesize In xSn 1-xTe nanostructures including nanowires and nanoribbons, which show superconducting transitions. In some of the lower dimensional morphologies, we observe signs of more than one superconducting transition and the absencemore » of complete superconductivity. We propose that material inhomogeneity, such as indium inhomogeneity and possible impurities from the metal catalyst, is amplified in the transport characteristics of the smaller nanostructures and is responsible for this mixed behavior. Our work represents the first demonstration of In xSn 1-xTe nanowires with the onset of superconductivity, and points to the need for improving the material quality for future applications« less

Synthesis and superconductivity of In-doped SnTe nanostructures

NASA Astrophysics Data System (ADS)

Kumaravadivel, Piranavan; Pan, Grace A.; Zhou, Yu; Xie, Yujun; Liu, Pengzi; Cha, Judy J.

2017-07-01

InxSn1-xTe is a time-reversal invariant candidate 3D topological superconductor derived from doping the topological crystalline insulator SnTe with indium. The ability to synthesize low-dimensional nanostructures of indium-doped SnTe is key for realizing the promise they hold in future spintronic and quantum information processing applications. But hitherto only bulk synthesized crystals and nanoplates have been used to study the superconducting properties. Here for the first time we synthesize InxSn1-xTe nanostructures including nanowires and nanoribbons, which show superconducting transitions. In some of the lower dimensional morphologies, we observe signs of more than one superconducting transition and the absence of complete superconductivity. We propose that material inhomogeneity, such as indium inhomogeneity and possible impurities from the metal catalyst, is amplified in the transport characteristics of the smaller nanostructures and is responsible for this mixed behavior. Our work represents the first demonstration of InxSn1-xTe nanowires with the onset of superconductivity, and points to the need for improving the material quality for future applications.

Stabilization of cubic Li7La3Hf2O12 by Al-doping

NASA Astrophysics Data System (ADS)

Baklanova, Yana V.; Tyutyunnik, Alexander P.; Tarakina, Nadezda V.; Fortes, A. Dominic; Maksimova, Lidiya G.; Korona, Daniil V.; Denisova, Tatyana A.

2018-07-01

In this paper we report on the stabilization of cubic Li7La3Hf2O12 by Al3+ doping and present a detailed crystal structure study and lithium ion conductivity measurements of the obtained compound. Polycrystalline Al-doped Li7La3Hf2O12 was prepared by a modified solid state method. The compound consists of micrometer size grains encapsulated by a glassy phase, which helps preventing the volatilization of lithium during annealing. Al-doped Li7La3Hf2O12 crystallizes in the garnet-related structure with a cubic unit cell (sp. gr. Ia 3 bar d (230)). A structural refinement using X-ray and neutron powder diffraction data showed that the Al3+ ions occupy only tetrahedral Li+ sites in the structure. The presence of overextended leading edges of the peaks on the XRD and NPD data is described by the introduction of an additional phase with rhombohedral distortion that occurs through a stretching of the cubic phase along the body diagonal. The activation energy as well as the total conductivity at room temperature are close to values obtained for un-doped cubic Li7La3Zr2O12 and Li7La3Hf2O12 garnets, which make Al-doped Li7La3Hf2O12 a potential candidate for the application as solid electrolyte in solid-state rechargeable lithium-ion batteries.

Facile synthesis of nanostructured transition metal oxides as electrodes for Li-ion batteries

NASA Astrophysics Data System (ADS)

Opra, Denis P.; Gnedenkov, Sergey V.; Sokolov, Alexander A.; Minaev, Alexander N.; Kuryavyi, Valery G.; Sinebryukhov, Sergey L.

2017-09-01

At all times, energy storage is one of the greatest scientific challenge. Recently, Li-ion batteries are under special attention due to high working voltage, long cycle life, low self-discharge, reliability, no-memory effect. However, commercial LIBs usage in medium- and large-scale energy storage are limited by the capacity of lithiated metal oxide cathode and unsafety of graphite anode at high-rate charge. In this way, new electrode materials with higher electrochemical performance should be designed to satisfy a requirement in both energy and power. As it known, nanostructured transition metal oxides are promising electrode materials because of their elevated specific capacity and high potential vs. Li/Li+. In this work, the perspective of an original facile technique of pulsed high-voltage plasma discharge in synthesis of nanostructured transition metal oxides as electrodes for lithium-ion batteries has been demonstrated.

Ultraviolet-infrared laser-induced domain inversion in MgO-doped congruent LiNbO3 and near stoichiometric LiTaO3 crystals

NASA Astrophysics Data System (ADS)

Zhi, Ya'nan; Qu, Weijuan; Liu, De'an; Sun, Jianfeng; Yan, Aimin; Liu, Liren

2008-08-01

Laser-induced domain inversion is a promising technique for domain engineering in LiNbO3 and LiTaO3. The ultraviolet-infrared laser induced domain inversions in MgO-doped congruent LiNbO3 and near stoichiometric LiTaO3 crystals are investigated for the first time here. Within the wavelength range from 351 to 799 nm, the different reductions of nucleation field induced by the focused continuous laser irradiation are systematically investigated in the MgO-doped congruent LiNbO3 crystals. The investigation of ultrashort-pulse laser-induced domain inversion in MgO-doped congruent LiNbO3 is performed with 800 nm wavelength irradiation. The focused continuous ultraviolet laser-induced ferroelectric domain inversion in the near stoichiometric LiTaO3 is also investigated. The different physical explanations, based on space charge field and defect formation, are presented for the laser-induced domain inversion, and the solid experimental proofs are also presented. The results provide the solid experimental proofs and feasible schemes for the further investigation of laser-induced domain engineering in MgO-doped LiNbO3 and near stoichiometric LiTaO3 crystals. The important characteristics of domain inversion, including domain wall and internal field, in LiNbO3 crystals are also investigated by the digital holographic interferometry with an improved reconstruction method, and some creative experimental results and conclusions are achieved.

Doping-Based Stabilization of the M2 Phase in Free-Standing VO2 Nanostructures at Room Temperature

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

Strelcov, Evgheni; Tselev, Alexander; Ivanov, Ilia N

2012-01-01

A new high-yield method of doping VO2 nanostructures with aluminum is proposed, which renders possible stabilization of the monoclinic M2 phase in free-standing nanoplatelets in ambient conditions and opens an opportunity for realization of a purely electronic Mott Transition Field-Effect Transistor without an accompanying structural transition. The synthesized free-standing M2-phase nanostructures are shown to have very high crystallinity and an extremely sharp temperature-driven metal-insulator transition. A combination of x-ray microdiffraction, micro-Raman spectroscopy, Energy-Dispersive X-ray spectroscopy, and four-probe electrical measurements allowed thorough characterization of the doped nanostructures. Light is shed onto some aspects of the nanostructure growth, and the temperature-doping levelmore » phase diagram is established.« less

Dehydrogenation kinetics and reversibility of LiAlH4-LiBH4 doped with Ti-based additives and MWCNT

NASA Astrophysics Data System (ADS)

Thaweelap, Natthaporn; Utke, Rapee

2016-11-01

Dehydrogenation kinetics and reversibility of LiAlH4-LiBH4 doped with Ti-based additives (TiCl3 and Ti-isopropoxide), multiwall carbon nanotubes (MWCNT), and MWCNT impregnated with Ti-based additives are proposed. Reduction of dehydrogenation temperature as well as improvements of kinetics and reversibility, especially decomposition of thermodynamically stable hydride (LiBH4) is obtained from the samples doped with Ti-isopropoxide and MWCNT. This can be due to the fact that the formations of LixAl(1-x)B2 and LiH-Al containing phase during dehydrogenation favor decomposition of LiH, leading to increment of hydrogen capacity, and stabilization of boron in solid state, resulting in improvement of reversibility. Besides, the curvatures and thermal conductivity of MWCNT benefit hydrogen diffusion and heat transfer during de/rehydrogenation. Nevertheless, deficient hydrogen content reversible is observed in all samples due to the irreversible of LiAlH4 and/or Li3AlH6 as well as the formation of stable phase (Li2B12H12) during de/rehydrogenation.

Low-frequency zone boundary phonons in Li doped ZnO ceramics

NASA Astrophysics Data System (ADS)

Yadav, Harish Kumar; Sreenivas, K.; Gupta, Vinay; Katiyar, R. S.

2008-09-01

Room temperature Raman spectra of Li doped ZnO (Zn1-xLixO) ceramics with varying Li concentrations (x =0.0, 0.05, 0.10, and 0.15) are investigated in this study. Four peaks were identified at 96.6, 127, 157, and 194 cm-1 in the Li doped samples. The peaks at 127, 157, and 194 cm-1 are assigned to zone boundary phonons in ZnO [J. M. Calleja and M. Cardona, Phys. Rev. B 16, 3753 (1977)], and appear due to disorder in ZnO lattice with Li incorporation. Lithium, owing to its smaller radius, adjusts itself anywhere in the ZnO lattice and breaks the crystal translational symmetry to a large extent, compared to other dopants. Disorder in the lattice is seen to be finely modulated with varying Li content. The peak at 96.6 cm-1 is hypothesized to be a projection of the vibrational motion of Li atoms at lower frequencies, which contributes in a major fashion at higher frequencies, due to its lighter mass than Zn or O atoms.

Si/C hybrid nanostructures for Li-ion anodes: An overview

NASA Astrophysics Data System (ADS)

Terranova, Maria Letizia; Orlanducci, Silvia; Tamburri, Emanuela; Guglielmotti, Valeria; Rossi, Marco

2014-01-01

This review article summarizes recent and increasing efforts in the development of novel Li ion cell anode nanomaterials based on the coupling of C with Si. The rationale behind such efforts is based on the fact that the Si-C coupling realizes a favourable combination of the two materials properties, such as the high lithiation capacity of Si and the mechanical and conductive properties of C, making Si/C hybrid nanomaterials the ideal candidates for innovative and improved Li-ion anodes. Together with an overview of the methodologies proposed in the last decade for material preparation, a discussion on relationship between organization at the nanoscale of the hybrid Si/C systems and battery performances is given. An emerging indication is that the enhancement of the batteries efficiency in terms of mass capacity, energy density and cycling stability, resides in the ability to arrange Si/C bi-component nanostructures in pre-defined architectures. Starting from the results obtained so far, this paper aims to indicate some emerging directions and to inspire promising routes to optimize fabrication of Si/C nanomaterials and engineering of Li-ion anodes structures. The use of Si/C hybrid nanostructures could represents a viable and effective solution to the foreseen limits of present lithium ion technology.

Highly sensitive ethanol chemical sensor based on Ni-doped SnO₂ nanostructure materials.

PubMed

Rahman, Mohammed M; Jamal, Aslam; Khan, Sher Bahadar; Faisal, M

2011-10-15

Due to potential applications of semiconductor transition doped nanostructure materials and the important advantages of synthesis in cost-effective and environmental concerns, a significant effort has been consummated for improvement of Ni-doped SnO(2) nanomaterials using hydrothermal technique at room conditions. The structural and optical properties of the low-dimensional (average diameter, 52.4 nm) Ni-doped SnO(2) nanostructures were demonstrated using various conventional techniques such as UV/visible spectroscopy, FT-IR spectroscopy, X-ray powder diffraction (XRD), and Field-emission scanning electron microscopy (FE-SEM). The calcined doped material is an attractive semiconductor nanoparticle for accomplishment in chemical sensing by simple I-V technique, where toxic chemical (ethanol) is used as a target chemical. Thin-film of Ni-doped SnO(2) nanostructure materials with conducting coating agents on silver electrodes (AgE, surface area, 0.0216 cm(2)) revealed higher sensitivity and repeatability. The calibration plot is linear (R, 0.8440) over the large dynamic range (1.0 nM-1.0 mM), where the sensitivity is approximately 2.3148 μA cm(-2) mM(-1) with a detection limit of 0.6 nM, based on signal/noise ratio in short response time. Consequently on the basis of the sensitive communication among structures, morphologies, and properties, it is exemplified that the morphologies and the optical characteristics can be extended to a large scale in doping nanomaterials and proficient chemical sensors applications. Copyright © 2011 Elsevier B.V. All rights reserved.

A Fast Humidity Sensor Based on Li+-Doped SnO2 One-Dimensional Porous Nanofibers

PubMed Central

Yin, Min; Yang, Fang; Wang, Zhaojie; Zhu, Miao; Liu, Ming; Xu, Xiuru; Li, Zhenyu

2017-01-01

One-dimensional SnO2- and Li+-doped SnO2 porous nanofibers were easily fabricated via electrospinning and a subsequent calcination procedure for ultrafast humidity sensing. Different Li dopant concentrations were introduced to investigate the dopant’s role in sensing performance. The response properties were studied under different relative humidity levels by both statistic and dynamic tests. The best response was obtained with respect to the optimal doping of Li+ into SnO2 porous nanofibers with a maximum 15 times higher response than that of pristine SnO2 porous nanofibers, at a relative humidity level of 85%. Most importantly, the ultrafast response and recovery time within 1 s was also obtained with the 1.0 wt % doping of Li+ into SnO2 porous nanofibers at 5 V and at room temperature, benefiting from the co-contributions of Li-doping and the one-dimensional porous structure. This work provides an effective method of developing ultrafast sensors for practical applications—especially fast breathing sensors. PMID:28772895

Energetics of a Li Atom adsorbed on B/N doped graphene with monovacancy

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

Rani, Babita, E-mail: babitabaghla15@gmail.com; Department of Physics, Punjabi University, Patiala 147002; Jindal, V.K.

We use density functional theory (DFT) to study the adsorption properties and diffusion of Li atom across B/N-pyridinic graphene. Regardless of the dopant type, B atoms of B-pyridinic graphene lose electron density. On the other hand, N atoms (p-type dopants) have tendency to gain electron density in N-pyridinic graphene. Higher chemical reactivity and electronic conductivity of B/N-pyridinic graphene are responsible for stronger binding of Li with the substrates as compared to pristine graphene. The binding energy of Li with B/N-pyridinic graphene exceeds the cohesive energy of bulk Li, making it energetically unfavourable for Li to form clusters on these substrates.more » Li atom gets better adsorbed on N-pyridinic graphene due to an additional p-p hybridization of the orbitals while Li on B-pyridinic prefers the ionic bonding. Also, significant distortion of N-pyridinic graphene upon Li adsorption is a consequence of the change in bonding mechanism between Li atom and the substrate. Our results show that bonding character and hence binding energies between Li and graphene can be tuned with the help of B/N doping of monovacancy defects. Further, the sites for most stable adsorption are different for the two types of doped and defective graphene, leading to greater Li uptake capacity of B-pyridinic graphene near the defect. In addition, B-pyridinic graphene offering lower diffusion barrier, ensures better Li kinetics. Thus, B-pyridinic graphene presents itself as a better anode material for LIBs as compared to N-pyridinic graphene. - Graphical abstract: Adsorption and diffusion of Li atom across the B/N doped monovacancy graphene is studied using ab-initio DFT calculations. Our results show that bonding mechanism and binding of Li with graphene can be tuned with the help of N/B doping of defects. Also, B-pyridinic graphene presents itself as a better anode material for lithium ion batteries as compared to N-pyridinic graphene. Display Omitted - Highlights: �

The mechanism of the UV band edge photorefractivity suppression in highly doped LiNbO3:Zr crystals

NASA Astrophysics Data System (ADS)

Xin, Fei-fei

2017-11-01

The ultraviolet (UV) band edge photorefractivity of LiNbO3:Zr at 325 nm has been investigated. The experimental results show that the resistance against photorefraction at 325 nm is quite obvious but not as strong as that at 351 nm, when the doping concentration of Zr reaches 2.0 mol%. It is reported that the photorefractivity in other tetravalently doped LiNbO3 crystals, such as LiNbO3:Hf and LiNbO3:Sn, is enhanced dramatically with doping concentration over threshold. Here we give an explicit explanation on such seemly conflicting behaviors of tetravalently doped LiNbO3, which is ascribed to the combined effect of increased photoconductivity and the absorption strength of the band edge photorefractive centers.

Nanostructural evolution and behavior of H and Li in ion-implanted γ-LiAlO 2

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

Jiang, Weilin; Zhang, Jiandong; Edwards, Danny J.

In-situ He+ ion irradiation is performed under a helium ion microscope to study nanostructural evolution in polycrystalline gamma-LiAlO2 pellets. Various locations within a grain, across grain boundaries and at a cavity are selected. The results exhibit He bubble formation, grain-boundary cracking, nanoparticle agglomeration, increasing surface brightness with dose, and material loss from the surface. Similar brightening effects at grain boundaries are also observed under a scanning electron microscope. Li diffusion and loss from polycrystalline gamma-LiAlO2 is faster than its monocrystalline counterpart during H2+ ion implantation at elevated temperatures. There is also more significant H diffusion and release from polycrystalline pelletsmore » during thermal annealing of 300 K implanted samples. Grain boundaries and cavities could provide a faster pathway for H and Li diffusion. H release is slightly faster from the 573 K implanted monocrystalline gamma-LiAlO2 during annealing at 773 K. Metal hydrides could be formed preferentially along the grain boundaries to immobilize hydrogen.« less

Effect of Li doping on the electric and pyroelectric properties of ZnO thin films

NASA Astrophysics Data System (ADS)

Trinca, L. M.; Galca, A. C.; Boni, A. G.; Botea, M.; Pintilie, L.

2018-01-01

Un-doped ZnO (UDZO) and Li-doped ZnO (LZO) polycrystalline thin films were grown on platinized silicon by pulsed laser deposition (PLD). The electrical properties were investigated on as-grown and annealed UDZO and LZO films with capacitor configuration, using top and bottom platinum electrodes. In the case of the as-grown films it was found that the introduction of Li increases the resistivity of ZnO and induces butterfly shape in the C-V characteristic, suggesting ferroelectric-like behavior in LZO films. The properties of LZO samples does not significantly changes after thermal annealing while the properties of UDZO samples show significant changes upon annealing, manifested in a butterfly shape of the C-V characteristic and resistive-like switching. However, the butterfly shape disappears if long delay time is used in the C-V measurement, the characteristic remaining non-linear. Pyroelectric signal could be measured only on annealed films. Comparing the UDZO results with those obtained in the case of Li:ZnO, it was found that the pyroelectric properties are considerably enhanced by Li doping, leading to pyroelectric signal with about one order of magnitude larger at low modulation frequencies than for un-doped samples. Although the results of this study hint towards a ferroelectric-like behavior of Li doped ZnO, the presence of real ferroelectricity in this material remains controversial.

Enhanced hydrogen storage on Li-doped defective graphene with B substitution: A DFT study

NASA Astrophysics Data System (ADS)

Zhou, Yanan; Chu, Wei; Jing, Fangli; Zheng, Jian; Sun, Wenjing; Xue, Ying

2017-07-01

The characteristics of hydrogen adsorption on Li-doped defective graphene systems were investigated using density functional theory (DFT) calculations. Four types of defective structures were selected. Li atoms were well dispersed on the defective graphene without clustering, evidenced by the binding energy value between Li and defective graphene than that of Li-Lix. Additionally, as the amount of adsorbed H2 molecules increase, the H2 molecules show tilting configuration toward the Li adatom. This is beneficial for more hydrogen adsorption under the electrostatic interaction. On these four stable structures, there were up to three polarized H2 molecules adsorbed on per Li adatom, with the average hydrogen adsorption energy in the range of approximately 0.2-0.4 eV. These results provide new focus on the nature of Li-doped defective graphene with sometimes B substitution medium, which could be considered as a promising candidate for hydrogen storage.

Plasmons in N-doped graphene nanostructures tuned by Au/Ag films: a time-dependent density functional theory study.

PubMed

Shu, Xiaoqin; Cheng, Xinlu; Zhang, Hong

2018-04-18

The energy resonance point of the prominent peak of the absorption spectrum of nitrogen-doped graphene is in the ultraviolet region. This limits its application as a co-catalyst in renewable hydrogen evolution through photocatalytic water splitting in the visible light region. It is well known that noble metal films show active absorption in the visible region due to the existence of the unique feature known as surface plasmon resonance. Here we report tunable plasmons in nitrogen-doped graphene nanostructures using noble metal (Au/Ag) films. The energy resonance point of the prominent peak of the composite nanostructure is altered by changing the separation space of two-layered nanostructures. We found the strength of the absorption spectrum of the composite nanostructure is much stronger than the isolated N-doped graphene monolayer. When the separation space is decreased, the prominent peak of the absorption spectrum is red-shifted to the visible light region. Moreover, currents of several microamperes exist above the surface of the N-doped graphene and Au film composite nanostructure. In addition, the field enhancement exceeds 1000 when an impulse excitation polarized in the armchair-edge direction (X-axis) when the separation space is decreased to 3 Å and is close to 100 when an impulse excitation polarized in the zigzag-edge direction (Y-axis). The N-doped graphene and noble metal film composite nanostructure is a good candidate material as a co-catalyst in renewable hydrogen production by photocatalytic water splitting in the visible light region.

Determination of theoretical capacity of metal ion-doped LiMn 2O 4 as the positive electrode in Li-ion batteries

NASA Astrophysics Data System (ADS)

Todorov, Yanko M.; Hideshima, Yasufumi; Noguchi, Hideyuki; Yoshio, Masaki

The theoretical capacity and cation vacancy of metal ion (M)-doped LiMn 2- xM xO 4 spinel compounds serving as positive electrodes in a 4-V lithium ion batteries are calculated. The capacity depends strongly on the mole fraction of doped metal ion and vacancies. The theoretical capacity increases with increasing oxidation number of the doped metal ion in the 16d site of LiMn 2O 4 at the same doping fraction. The validity of the proposed equation for calculation of the capacity has been initially confirmed using a metal ion with well-known valence, such as the Al ion. The oxidation state of Co, Ni and Cr ions in the spinel structure is found to be trivalent, divalent and trivalent, respectively. Analysis shows that metal ion-doped spinel compounds with low vacancy content promote high capacity.

The physical properties of Li-doped g-C{sub 3}N{sub 4} monolayer sheet investigated by the first-principles

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

Ruan, Linwei; Xu, Gengsheng; Gu, Lina

2015-06-15

Highlights: • Systematically research on Li-doped g-C{sub 3}N{sub 4} monolayer sheets by first-principles calculation. • Optimal dopant concentration for optical absorption is 7.12%. • Thermodynamics stability of the doped substrate g-C{sub 3}N{sub 4} decreased with Li dopant concentration increasing. • The values of work function Φ decreased monotonously with the increasing of Li dopant concentration. - Abstract: The geometric, electronic, optical properties, thermodynamic stability, and work function of Li-doped g-C{sub 3}N{sub 4} monolayer were investigated by the first-principles calculation. It was found that the Li atoms were preferentially substituted the open-hollow sites of g-C{sub 3}N{sub 4}. Interestingly, the “odd” numbermore » of Li doped g-C{sub 3}N{sub 4} showed metallic properties, while the “even” number of Li atoms widened the band gap of g-C{sub 3}N{sub 4}. The HOMO and LUMO distributions reveal that the active sites located at edge N and C atoms for both pristine and the Li-doped g-C{sub 3}N{sub 4}. In addition, thermodynamic analysis showed that the doped Li atoms reduced the thermodynamic stability of g-C{sub 3}N{sub 4} monolayer sheets.« less

Electronic and transport properties of Li-doped NiO epitaxial thin films

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

Zhang, J. Y.; Li, W. W.; Hoye, R. L. Z.

NiO is a p-type wide bandgap semiconductor of use in various electronic devices ranging from solar cells to transparent transistors. Understanding and improving its optical and transport properties have been of considerable interest. In this work, we have investigated the effect of Li doping on the electronic, optical and transport properties of NiO epitaxial thin films grown by pulsed laser deposition. We show that Li doping significantly increases the p-type conductivity of NiO, but all the films have relatively low room-temperature mobilities (<0.05 cm2 V -1s -1). The conduction mechanism is better described by small-polaron hoping model in the temperaturemore » range of 200 K < T <330 K, and variable range hopping at T <200 K. A combination of x-ray photoemission and O K-edge x-ray absorption spectroscopic investigations reveal that the Fermi level gradually shifts toward the valence band maximum (VBM) and a new hole state develops with Li doping. Both the VBM and hole states are composed of primarily Zhang-Rice bound states, which accounts for the small polaron character (low mobility) of hole conduction. Our work provides guidelines for the search for p-type oxide materials and device optimization.NiO is a p-type wide bandgap semiconductor of use in various electronic devices ranging from solar cells to transparent transistors. This work reports the controlling of conductivity and increase of work functions by Li doping.« less

3D nanostructured N-doped TiO2 photocatalysts with enhanced visible absorption.

PubMed

Cho, Sumin; Ahn, Changui; Park, Junyong; Jeon, Seokwoo

2018-05-24

Considering the environmental issues, it is essential to develop highly efficient and recyclable photocatalysts in purification systems. Conventional TiO2 nanoparticles have strong intrinsic oxidizing power and high surface area, but are difficult to collect after use and rarely absorb visible light, resulting in low photocatalytic efficiency under sunlight. Here we develop a new type of highly efficient and recyclable photocatalyst made of a three-dimensional (3D) nanostructured N-doped TiO2 monolith with enhanced visible light absorption. To prepare the sample, an ultrathin TiN layer (∼10 nm) was conformally coated using atomic layer deposition (ALD) on 3D nanostructured TiO2. Subsequent thermal annealing at low temperature (550 °C) converted TiN to anatase phase N-doped TiO2. The resulting 3D N-doped TiO2 showed ∼33% enhanced photocatalytic performance compared to pure 3D TiO2 of equivalent thickness under sunlight due to the reduced bandgap, from 3.2 eV to 2.75 eV through N-doping. The 3D N-doped TiO2 monolith could be easily collected and reused at least 5 times without any degradation in photocatalytic performance.

Biocompatibility of nanostructured boron doped diamond for the attachment and proliferation of human neural stem cells.

PubMed

Taylor, Alice C; Vagaska, Barbora; Edgington, Robert; Hébert, Clément; Ferretti, Patrizia; Bergonzo, Philippe; Jackman, Richard B

2015-12-01

We quantitatively investigate the biocompatibility of chemical vapour deposited (CVD) nanocrystalline diamond (NCD) after the inclusion of boron, with and without nanostructuring. The nanostructuring method involves a novel approach of growing NCD over carbon nanotubes (CNTs) that act as a 3D scaffold. This nanostructuring of BNCD leads to a material with increased capacitance, and this along with wide electrochemical window makes BNCD an ideal material for neural interface applications, and thus it is essential that their biocompatibility is investigated. Biocompatibility was assessed by observing the interaction of human neural stem cells (hNSCs) with a variety of NCD substrates including un-doped ones, and NCD doped with boron, which are both planar, and nanostructured. hNSCs were chosen due to their sensitivity, and various methods including cell population and confluency were used to quantify biocompatibility. Boron inclusion into NCD film was shown to have no observable effect on hNSC attachment, proliferation and viability. Furthermore, the biocompatibility of nanostructured boron-doped NCD is increased upon nanostructuring, potentially due to the increased surface area. Diamond is an attractive material for supporting the attachment and development of cells as it can show exceptional biocompatibility. When boron is used as a dopant within diamond it becomes a p-type semiconductor, and at high concentrations the diamond becomes quasi-metallic, offering the prospect of a direct electrical device-cell interfacing system.

Improved Li storage performance in SnO 2 nanocrystals by a synergetic doping

DOE PAGES

Wan, Ning; Lu, Xia; Wang, Yuesheng; ...

2016-01-06

Tin dioxide (SnO 2) is a widely investigated lithium (Li) storage material because of its easy preparation, two-step storage mechanism and high specific capacity for lithium-ion batteries (LIBs). In this contribution, a phase-pure cobalt-doped SnO 2 (Co/SnO 2) and a cobalt and nitrogen co-doped SnO 2 (Co-N/SnO 2) nanocrystals are prepared to explore their Li storage behaviors. It is found that the morphology, specific surface area, and electrochemical properties could be largely modulated in the doped and co-doped SnO 2 nanocrystals. Gavalnostatic cycling results indicate that the Co-N/SnO 2 electrode delivers a specific capacity as high as 716 mAh gmore » –1 after 50 cycles, and the same outstanding rate performance can be observed in subsequent cycles due to the ionic/electronic conductivity enhancement by co-doping effect. Further, microstructure observation indicates the existence of intermediate phase of Li 3N with high ionic conductivity upon cycling, which probably accounts for the improvements of Co-N/SnO 2 electrodes. Furthermore, we find that the method of synergetic doping into SnO 2 with Co and N, with which the electrochemical performances is enhanced remarkably, undoubtedly, will have an important influence on the material itself and community of LIBs as well.« less

Aerosol Synthesis of N and N-S Doped and Crumpled Graphene Nanostructures.

PubMed

Carraro, Francesco; Cattelan, Mattia; Favaro, Marco; Calvillo, Laura

2018-06-06

Chemically modified graphene⁻based materials (CMG) are currently attracting a vast interest in their application in different fields. In particular, heteroatom-doped graphenes have revealed great potentialities in the field of electrocatalysis as substitutes of fuel cell noble metal⁻based catalysts. In this work, we investigate an innovative process for doping graphene nanostructures. We optimize a novel synthetic route based on aerosol preparation, which allows the simultaneous doping, crumpling, and reduction of graphene oxide (GO). Starting from aqueous solutions containing GO and the dopant precursors, we synthesize N- and N,S-dual-doped 3D graphene nanostructures (N-cGO and N,S-cGO). In the aerosol process, every aerosol droplet can be considered as a microreactor where dopant precursors undergo thermal decomposition and react with the GO flakes. Simultaneously, thanks to the relatively high temperature, GO undergoes crumpling and partial reduction. Using a combination of spectroscopic and microscopic characterization techniques, we investigate the morphology of the obtained materials and the chemical nature of the dopants within the crumpled graphene sheets. This study highlights the versatility of the aerosol process for the design of new CMG materials with tailored electrocatalytic properties.

Photoluminescent properties of Eu-doped ZnLiNbO4

NASA Astrophysics Data System (ADS)

Huang, Meng-Hsi; Lin, Ming-Hong; Fang, Te-Hua; Chang, Chia-Wei

2018-04-01

In this study, fluorescent Eu3+-doped ZnLiNbO4 materials were prepared via a vibrating milled solid-state reaction method. The objective was to develop new fluorescent oxide materials and study their fluorescent properties. The ZnLiNbO4 tetragonal spinel structure was formed with a single phase at a sintering temperature of 800 °C and with a regular shape at 1000 °C. The main exciton band was at 466 nm (7F0 → 5D2), and the main emission band was at 615 nm (5D0 → 7F2), which was an orange–red light band. The emission intensity was approximately 5% when the doping concentration reached 7%. The decay time was 2.96 ms.

Li+, Na+ and K+ co-doping effects on scintillation properties of Ce:Gd3Ga3Al2O12 single crystals

NASA Astrophysics Data System (ADS)

Yoshino, Masao; Kamada, Kei; Kochurikhin, Vladimir V.; Ivanov, Mikhail; Nikl, Martin; Okumura, Satoshi; Yamamoto, Seiichi; Yeom, Jung Yeol; Shoji, Yasuhiro; Kurosawa, Shunsuke; Yokota, Yuui; Ohashi, Yuji; Yoshikawa, Akira

2018-06-01

Ce0.5%: Ce:Gd3Ga3Al2O12(GGAG) single crystals co-doped with 500at.ppm Li+, Na+ and K+ were grown by using the micro-pulling down method. The smooth Ce4+ charge transfer absorption below 350 nm and decay time acceleration were observed in Li co-doped sample. Na+ and K+ co-doping did not show a large effect on the acceleration of decay time compared with Li co-doping. Ce0.5%:GGAG single crystals co-doped with 500 at.ppm Li+ were also grown by the Czochralski method. Optical, scintillation properties and timing performance were evaluated to investigate the effect of univalent alkali metal ions co-doping on Ce:GGAG scintillators. The scintillation decay curves were accelerated by Li co-doping: the decay time was significantly accelerated to 54.8 ns (47%) for the faster component and 158 ns (53%) for the slower component. The light output was 94% of the non co-doped Ce:GGAG standard. The coincidence time resolution was improved to 258 ps by Li co-doping.

Mg-doped Li2FeSiO4/C as high-performance cathode material for lithium-ion battery

NASA Astrophysics Data System (ADS)

Qu, Long; Luo, Dong; Fang, Shaohua; Liu, Yi; Yang, Li; Hirano, Shin-ichi; Yang, Chun-Chen

2016-03-01

Mg-doped Li2FeSiO4/C is synthesized by using Fe2O3 nanoparticle as iron source. Through Rietveld refinement of X-ray diffraction data, it is confirmed that Mg-doped Li2FeSiO4 owns monoclinic P21/n structure and Mg occupies in Fe site in the lattice. Through energy dispersive X-ray measurement, it is detected that Mg element is distributed homogenously in the resulting product. The results of transmission electron microscopy measurement reveal that the effect of Mg-doping on Li2FeSiO4 crystallite size is not obvious. As a cathode material for lithium-ion battery, this Mg-doped Li2FeSiO4/C delivers high discharge capacity of 190 mAh g-1 (the capacity was with respect to the mass of Li2FeSiO4) at 0.1C and its capacity retention of 100 charge-discharge cycles reaches 96% at 0.1C. By the analysis of electrochemical impedance spectroscopy, it is concluded that Mg-doping can help to decrease the charge-transfer resistance and increase the Li+ diffusion capability.

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V xAs

DOE PAGES

Xing, L. Y.; Shi, X.; Richard, P.; ...

2016-09-28

Here we synthesized a series of V-doped LiFe 1₋xV xAs single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that themore » temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz/dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋xV xAs suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.« less

Observation of non-Fermi liquid behavior in hole-doped LiFe 1-x V xAs

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

Xing, L. Y.; Shi, X.; Richard, P.

Here we synthesized a series of V-doped LiFe 1₋xV xAs single crystals. The superconducting transition temperature T c of LiFeAs decreases rapidly at a rate of 7 K per 1% V. The Hall coefficient of LiFeAs switches from negative to positive with 4.2% V doping, showing that V doping introduces hole carriers. This observation is further confirmed by the evaluation of the Fermi surface volume measured by angle-resolved photoemission spectroscopy (ARPES), from which a 0.3 hole doping per V atom introduced is deduced. Interestingly, the introduction of holes does not follow a rigid band shift. We also show that themore » temperature evolution of the electrical resistivity as a function of doping is consistent with a crossover from a Fermi liquid to a non-Fermi liquid. Our ARPES data indicate that the non-Fermi liquid behavior is mostly enhanced when one of the hole d xz/dyz Fermi surfaces is well nested by the antiferromagnetic wave vector to the inner electron Fermi surface pocket with the d xy orbital character. In conclusion, the magnetic susceptibility of LiFe 1₋xV xAs suggests the presence of strong magnetic impurities following V doping, thus providing a natural explanation to the rapid suppression of superconductivity upon V doping.« less

Polarization induced conductive AFM on cobalt doped ZnO nanostructures

NASA Astrophysics Data System (ADS)

Sahoo, Pradosh Kumar; Mangamma, G.; Rajesh, A.; Kamruddin, M.; Dash, S.

2017-05-01

In the present work cobalt doped ZnO (CZO) nanostructures (NS) have been synthesized by of sol-gel and spin coating process. After the crystal phase confirmation by GIXRD and Raman spectroscopy, Conductive Atomic Force Microscopy (C-AFM) measurement was performed on CZO NS which shows the random distribution of electrically conducting zones on the surface of the material exhibiting current in the range 4-170 pA. We provide the possible mechanisms for variation in current distribution essential for quantitative understanding of transport properties of ZnO NS in doped and undoped forms.

2 inch size Czochralski growth and scintillation properties of Li+ co-doped Ce:Gd3Ga3Al2O12

NASA Astrophysics Data System (ADS)

Kamada, Kei; Shoji, Yasuhiro; Kochurikhin, Vladimir V.; Yoshino, Masao; Okumura, Satoshi; Yamamoto, Seiichi; Yeom, Jung Yeol; Kurosawa, Shunsuke; Yokota, Yuui; Ohashi, Yuji; Nikl, Martin; Yoshino, Masao; Yoshikawa, Akira

2017-03-01

The 2 inch size Li 0.15 and 1.35 mol% co-doped Ce:Gd3Al2Ga3O12 single crystals were prepared by the Czochralski (Cz) method. Absorption and luminescence spectra were measured together with several other scintillation characteristics, namely the scintillation decay and light yield to reveal the effect of Li co-doping. Ce4+ CT absorption below 350 nm is clearly enhanced by Li co-doping as same as divalent ions co-doping. By 1.35 at.% Li co-doping, light yield was decrease to 88% of the Ce: GAGG standard and decay time was accelerated to 34.3ns 21.0%, 84.6ns 68.7%, 480ns 10.3%. The timing resolution measurement for a pair of 3 × 3 × 3mm3 size Li,Ce:GAGG scintillator crystals was performed using Si-PMs and the timing resolution of the 1.35 at.% Li co-doped Ce:GAGG was 218ps.

Fabrication and characterization of nanostructured Mg-doped CdS/AAO nanoporous membrane for sensing applications

NASA Astrophysics Data System (ADS)

Shaban, Mohamed; Mustafa, Mona; Hamdy, Hany

2016-04-01

In this study, Mg-doped CdS nanostructure was deposited onto anodic aluminum oxide (AAO) membrane substrate using sol-gel spin coating method. The AAO membrane was prepared by a two-step anodization process combined with pore widening process. The morphology, chemical composition, and structure of the spin- coated CdS nanostructure have been studied. The morphology of the fabricated AAO membrane and the deposited Mg-doped CdS nanostructure was investigated using scanning electron microscopy (SEM). The SEM of AAO illustrates a typical hexagonal and smooth nanoporous alumina membrane with interpore distance of ~ 100 nm, the pore diameter of ~ 60 nm. SEM of Mgdoped CdS shows porous nanostructured film of CdS nanoparticles. This film well adherents and covers the AAO substrate. The energy dispersive X-ray (EDX) pattern exhibits the signals of Al, O from AAO membrane and Mg, Cd, and S from the deposited CdS. This indicates the high purity of the fabricated membrane and the deposited Mg-doped CdS nanostructure. Using X-ray diffraction (XRD) pattern, Scherrer equation was used to calculate the average crystallite size. Additionally, the texture coefficients and density of dislocations were calculated. The fabricated CdS/AAO was applied to detect glucose of different concentrations. The proposed method has some advantages such as simple technology, low cost of processing, and high throughput. All of these factors facilitate the use of the prepared films in sensing applications.

Optical and magnetic properties of Co-doped CuO flower/plates/particles-like nanostructures.

PubMed

Basith, N Mohamed; Vijaya, J Judith; Kennedy, L John; Bououdina, M; Hussain, Shamima

2014-03-01

In this study, pure and Co-doped CuO nanostructures (0.5, 1.0, 1.5, and 2.0 at wt% of Co) were synthesized by microwave combustion method. The prepared samples were characterized by X-ray diffraction (XRD), high resolution scanning electron microscopy (HR-SEM), energy dispersive X-ray analysis (EDX), diffuse reflectance spectroscopy (DRS), photoluminescence (PL) spectroscopy and vibrating sample magnetometry (VSM). Powder X-ray diffraction patterns refined by the Rietveld method indicated the formation of single-phase monoclinic structure. The surface morphology and elemental analysis of Co-doped CuO nanostructures were studied by using HR-SEM and EDX. Interestingly, the morphology was found to change considerably from nanoflowers to nanoplates then to nanoparticles with the variation of Co concentration. The optical band gap calculated using DRS was found to be 2.1 eV for pure CuO and increases up to 3.4 eV with increasing cobalt content. Photoluminescence measurements also confirm these results. The magnetic measurements indicated that the obtained nanostructures were ferromagnetic at room temperature with an optimum value of saturation magnetization at 1.0 wt.% of Co-doped CuO, i.e., 970 micro emu/g.

Electrical Transport Ability of Nanostructured Potassium-Doped Titanium Oxide Film

NASA Astrophysics Data System (ADS)

Lee, So-Yoon; Matsuno, Ryosuke; Ishihara, Kazuhiko; Takai, Madoka

2011-02-01

Potassium-doped nanostructured titanium oxide films were fabricated using a wet corrosion process with various KOH solutions. The doped condition of potassium in TiO2 was confirmed by Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Nanotubular were synthesized at a dopant concentration of <0.27% when the dopant concentration increased to >0.27%, these structures disappeared. To investigate the electrical properties of K-doped TiO2, pseudo metal-oxide-semiconductor field-effect transistor (MOSFET) samples were fabricated. The samples exhibited a distinct electrical behavior and p-type characteristics. The electrical behavior was governed by the volume of the dopant when the dopant concentration was <0.10% and the volume of the TiO2 phase when the dopant concentration was >0.18%.

Voc enhancement of a solar cell with doped Li+-PbS as the active layer

NASA Astrophysics Data System (ADS)

Chávez Portillo, M.; Alvarado Pulido, J.; Gallardo Hernández, S.; Soto Cruz, B. S.; Alcántara Iniesta, S.; Gutiérrez Pérez, R.; Portillo Moreno, O.

2018-06-01

In this report, we investigate the fabrication of solar cells obtained by chemical bath technique, based on CdS as window layer and PbS and PbS-Li+-doped as the active layer. We report open-circuit-voltage Voc values of ∼392 meV for PbS and ∼630 meV for PbSLi+-doped, a remarkable enhanced in the open circuit voltage is shown for solar cells with doped active layer. Li+ ion passivate the dangling bonds in PbS-metal layer interface in consequence reducing the recombination centers.

Shuttle inhibition by chemical adsorption of lithium polysulfides in B and N co-doped graphene for Li-S batteries.

PubMed

Li, Fen; Su, Yan; Zhao, Jijun

2016-09-14

The advance of lithium sulfur batteries is now greatly restricted by the fast capacity fading induced by shuttle effect. Using first-principles calculations, various vacancies, N doping, and B,N co-doping in graphene sheets have been systematically explored for lithium polysufides entrapped in Li-S batteries. The LiS, LiC, LiN and SB bonds and Hirshfeld charges in the Li 2 S 6 adsorbed defective graphene systems have been analyzed to understand the intrinsic mechanism of retaining lithium polysulfides in these systems. Total and local densities of states analyses elucidate the strongest adsorption sites among the N and B-N co-doped graphene systems. The overall electrochemical performance of Li-S batteries varies with the types of defects in graphene. Among the defective graphene systems, only the reconstructed pyrrole-like vacancy is effective for retaining lithium polysulfides. N doping induces a strong LiN interaction in the defective graphene systems, in which the pyrrolic N rather than the pyridinic N plays a dominant role in trapping of lithium polysulfides. The shuttle effect can be further depressed via pyrrolic B,N co-doped defective graphene materials, especially the G-B-N-hex system with extremely strong adsorption of lithium polysulfides (4-5 eV), and simultaneous contribution from the strong LiN and SB interactions.

A promising tritium breeding material: Nanostructured 2Li2TiO3-Li4SiO4 biphasic ceramic pebbles

NASA Astrophysics Data System (ADS)

Dang, Chen; Yang, Mao; Gong, Yichao; Feng, Lan; Wang, Hailiang; Shi, Yanli; Shi, Qiwu; Qi, Jianqi; Lu, Tiecheng

2018-03-01

As an advanced tritium breeder material for the fusion reactor blanket of the International Thermonuclear Experimental Reactor (ITER), Li2TiO3-Li4SiO4 biphasic ceramic has attracted widely attention due to its merits. In this paper, the uniform precursor powders were prepared by hydrothermal method, and nanostructured 2Li2TiO3-Li4SiO4 biphasic ceramic pebbles were fabricated by an indirect wet method at the first time. In addition, the composition dependence (x/y) of their microstructure characteristics and mechanical properties were investigated. The results indicated that the crush load of biphasic ceramic pebbles was better than that of single phase ceramic pebbles under identical conditions. The 2Li2TiO3-Li4SiO4 ceramic pebbles have good morphology, small grain size (90 nm), satisfactory crush load (37.8 N) and relative density (81.8 %T.D.), which could be a promising breeding material in the future fusion reactor.

Hydrogenated nanostructure boron doped amorphous carbon films by DC bias

NASA Astrophysics Data System (ADS)

Ishak, A.; Dayana, K.; Saurdi, I.; Malek, M. F.; Rusop, M.

2018-03-01

Hydrogenated nanostructure-boron doped amorphous carbon thin film carbon was deposited at different negative bias using custom-made deposition bias assisted-CVD. Solid of boron and palm oil were used as dopant and carbon source, respectively. The hydrogenated nanostructure amorphous films were characterized by Field emission scanning electron microscopy, Fourier transform infrared spectroscopy, Raman spectroscopy, while the photo-response studies of thin film is done by I-V measurement under light measurement. The results showed the carbon film were in nanostructure with hydrogen and boron might be incorporated in the film. The Raman spectra observed the increase of upward shift of D and G peaks as negative bias increased which related to the structural change as boron incorporated in carbon network. These structural changes were further correlated with photo-response study and the results obtained are discussed and compared.

Thermally and optically stimulated radiative processes in Eu and Y co-doped LiCaAlF6 crystal

NASA Astrophysics Data System (ADS)

Fukuda, Kentaro; Yanagida, Takayuki; Fujimoto, Yutaka

2015-06-01

Yttrium co-doping was attempted to enhance dosimeter performance of Eu doped LiCaAlF6 crystal. Eu doped and Eu, Y co-doped LiCaAlF6 were prepared by the micro-pulling-down technique, and their dosimeter characteristics such as optically stimulated luminescence (OSL) and thermally stimulated luminescence (TSL) were investigated. By yttrium co-doping, emission intensities of OSL and TSL were enhanced by some orders of magnitude. In contrast, scintillation characteristics of yttrium co-doped crystal such as intensity of prompt luminescence induced by X-ray and light yield under neutron irradiation were degraded.

On the structural and impedance characteristics of Li- doped PEO, using n-butyl lithium in hexane as dopant

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

Anand, P. B., E-mail: anandputhirath@gmail.com, E-mail: jayalekshmi@cusat.ac.in; Jayalekshmi, S., E-mail: anandputhirath@gmail.com, E-mail: jayalekshmi@cusat.ac.in

2014-01-28

Nowadays polymer based solid state electrolytes for applications in rechargeable battery systems are highly sought after materials, pursued extensively by various research groups worldwide. Numerous methods are discussed in literature to improve the fundamental properties like electrical conductivity, mechanical stability and interfacial stability of polymer based electrolytes. The application of these electrolytes in Li-ion cells is still in the amateur state, due to low ionic conductivity, low lithium transport number and the processing difficulties. The present work is an attempt to study the effects of Li doping on the structural and transport properties of the polymer electrolyte, poly-ethelene oxide (PEO)more » (Molecular weight: 200,000). Li doped PEO was obtained by treating PEO with n-Butyllithium in hexane for different doping concentrations. Structural characterization of the samples was done by XRD and FTIR techniques. Impedance measurements were carried out to estimate the ionic conductivity of Li doped PEO samples. It is seen that, the crystallinity of the doped PEO decreases on increasing the doping concentration. XRD and FTIR studies support this observation. It is inferred that, ionic conductivity of the sample is increasing on increasing the doping concentration since less crystallinity permits more ionic transport. Impedance measurements confirm the results quantitatively.« less

High-strength laser welding of aluminum-lithium scandium-doped alloys

NASA Astrophysics Data System (ADS)

Malikov, A. G.; Ivanova, M. Yu.

2016-11-01

The work presents the experimental investigation of laser welding of an aluminum alloy (system Al-Mg-Li) and aluminum alloy (system Al-Cu-Li) doped with Sc. The influence of nano-structuring of the surface layer welded joint by cold plastic deformation on the strength properties of the welded joint is determined. It is founded that, regarding the deformation degree over the thickness, the varying value of the welded joint strength is different for these aluminum alloys. The strength of the plastically deformed welded joint, aluminum alloys of the Al-Mg-Li and Al-Cu-Li systems reached 0.95 and 0.6 of the base alloy strength, respectively.

Zr doping effect with low-cost solid-state reaction method to synthesize submicron Li4Ti5O12 anode material

NASA Astrophysics Data System (ADS)

Seo, Inseok; Lee, Cheul-Ro; Kim, Jae-Kwang

2017-09-01

To improve the electrochemical properties, fine Zr-doping Li4Ti5O12 anode materials for rechargeable lithium batteries with a uniform particle size distribution were synthesized by a modified solid-state reaction using fine Li2CO3 and TiO2 (anatase) powders as precursors with a Li:Ti molar ratio of 4:5. The use of fine Li2CO3 and TiO2 (anatase) powders as precursors prevented the formation of ZrO2 at 0.1 mol Zr-doping. XRD analysis revealed that the substitution of Zr for Ti leads to the increase of lattice parameters, allowing improved Li diffusion. The discharge capacity retention increased slightly with Zr-doping and the 0.1 mol Zr-doped Li4Ti5O12 electrode achieved 99% retention of discharge capacity.

Electrodeposition of Zn-doped α-nickel hydroxide with flower-like nanostructure for supercapacitors

NASA Astrophysics Data System (ADS)

You, Zheng; Shen, Kui; Wu, Zhicheng; Wang, Xiaofeng; Kong, Xianghua

2012-08-01

Zn-doped α-nickel hydroxide materials with flower-like nanostructures are synthesized by electrochemical deposition method. The samples are characterized by X-ray diffraction (XRD), field emission scanning electron microscope (SEM) and electrochemical measurements. XRD spectra indicate nickel hydroxide doped with Zn is α-Ni(OH)2 with excellent crystallization. The SEM observation shows that the formation of Zn-doped Ni(OH)2 includes two steps: a honeycomb-like film forms on the substrate first, then flower-like particles forms on the films. The nickel hydroxide doped with 5% Zn can maintain a maximum specific capacitance of 860 F g-1, suggesting its potential application in electrochemical capacitors.

Structural and spectroscopic properties of pure and doped LiCe(PO{sub 3}){sub 4}

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

Abdelhedi, M., E-mail: m_abdelhedi2002@yahoo.fr; Horchani-Naifer, K.; Dammak, M.

2015-10-15

Graphical abstract: Emission and excitation and spectra of Eu{sup 3+} doped LiCe(PO{sub 3}){sub 4} host lattice with 1, 2, 3 and 4 mol%. - Highlights: • Europium–doped LiCe(PO{sub 3}){sub 4} were prepared by flux method. • It was analyzed by infrared and Raman spectroscopy, and luminescence spectroscopy. • LiCe(PO{sub 3}){sub 4} doped with Eu{sup 3+} ions as luminophore host materials to produce an intense red. - Abstract: Single crystals of LiCe(PO{sub 3}){sub 4} polyphosphate have been synthesized by the flux method and its structural and luminescence properties have been investigated. This compound crystallizes in the space group C2/c with unitmore » cell dimensions a = 16.52(7) Å, b = 7.09(4) Å, c = 9.83 (4)Å, β = 126.29(4)°, Z = 8 and V = 927.84(3) Å{sup 3}. The obtained polytetraphosphate exhibits very small crystals and the dopant Eu{sup 3+} ions were successfully incorporated into the sites of Ce{sup 3+} ions of the host lattice. The spectroscopy properties confirm the potentiality of present LiCe(PO{sub 3}){sub 4} doped with Eu{sup 3+} ions as luminophore host materials to produce an intense red luminescence at 628 nm corresponding to {sup 5}D{sub 0} → {sup 7}F{sub 2} emission level and have significant importance in the development of emission optical systems.« less

Ultraviolet/visible photodiode of nanostructure Sn-doped ZnO/Si heterojunction

NASA Astrophysics Data System (ADS)

Kheirandish, N.; Mortezaali, A.

2013-05-01

Sn doped ZnO nanostructures deposited on Si substrate with (100) orientation by spray pyrolysis method at temperature 450 °C. Sn/Zn atomic ratio varies from 0% to 5%. The scanning electron microscope measurements showed that size of particles reduce with increasing the doping concentration. The X-ray diffraction analysis revealed formation of the wurtzite phase of ZnO. I-V curves of Sn doped ZnO/Si were investigated in dark and shows diode-like rectifying behavior. Among doped ZnO/Si, sample with atomic ratio of Sn/Zn = 5% is a good candidate to study photodiode properties in UV/visible range. Photoelectric effects have been observed under illumination monochromatic laser light with a wavelength of 325 nm and halogen lamp. Measurements demonstrate that the photodiode has high sensitivity and reproducibility to halogen light respect to laser light.

Nanostructured N-doped TiO2 marigold flowers for an efficient solar hydrogen production from H2S

NASA Astrophysics Data System (ADS)

Chaudhari, Nilima S.; Warule, Sambhaji S.; Dhanmane, Sushil A.; Kulkarni, Milind V.; Valant, Matjaz; Kale, Bharat B.

2013-09-01

Nitrogen-doped TiO2 nanostructures in the form of marigold flowers have been synthesized for the first time using a facile solvothermal method. The structural analysis has shown that such an N-doped TiO2 system crystallizes in the anatase structure. The optical absorption spectra have clearly shown the shift in the absorption edge towards the visible-light range, which indicates successful nitrogen doping. The nitrogen doping has been further confirmed by photoluminescence and photoemission spectroscopy. Microscopy studies have shown the thin nanosheets (petals) of N-TiO2 with a thickness of ~2-3 nm, assembled in the form of the marigold flower with a high surface area (224 m2 g-1). The N-TiO2 nanostructure with marigold flowers is an efficient photocatalyst for the decomposition of H2S and production of hydrogen under solar light. The maximum hydrogen evolution obtained is higher than other known N-TiO2 systems. It is noteworthy that photohydrogen production using the unique marigold flowers of N-TiO2 from abundant H2S under solar light is hitherto unattempted. The proposed synthesis method can also be utilized to design other hierarchical nanostructured N-doped metal oxides.Nitrogen-doped TiO2 nanostructures in the form of marigold flowers have been synthesized for the first time using a facile solvothermal method. The structural analysis has shown that such an N-doped TiO2 system crystallizes in the anatase structure. The optical absorption spectra have clearly shown the shift in the absorption edge towards the visible-light range, which indicates successful nitrogen doping. The nitrogen doping has been further confirmed by photoluminescence and photoemission spectroscopy. Microscopy studies have shown the thin nanosheets (petals) of N-TiO2 with a thickness of ~2-3 nm, assembled in the form of the marigold flower with a high surface area (224 m2 g-1). The N-TiO2 nanostructure with marigold flowers is an efficient photocatalyst for the decomposition of H2S and

Improved Electrochemical Performance of LiFePO4@N-Doped Carbon Nanocomposites Using Polybenzoxazine as Nitrogen and Carbon Sources.

PubMed

Wang, Ping; Zhang, Geng; Li, Zhichen; Sheng, Wangjian; Zhang, Yichi; Gu, Jiangjiang; Zheng, Xinsheng; Cao, Feifei

2016-10-03

Polybenzoxazine is used as a novel carbon and nitrogen source for coating LiFePO 4 to obtain LiFePO 4 @nitrogen-doped carbon (LFP@NC) nanocomposites. The nitrogen-doped graphene-like carbon that is in situ coated on nanometer-sized LiFePO 4 particles can effectively enhance the electrical conductivity and provide fast Li + transport paths. When used as a cathode material for lithium-ion batteries, the LFP@NC nanocomposite (88.4 wt % of LiFePO 4 ) exhibits a favorable rate performance and stable cycling performance.

Enhancement of luminescence emission from GdVO{sub 4}:Er{sup 3+}/Yb{sup 3+} phosphor by Li{sup +} co-doping

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

Gavrilović, Tamara V.; Jovanović, Dragana J., E-mail: draganaj@vinca.rs; Lojpur, Vesna M.

2014-09-15

This paper demonstrates the effects of Li{sup +} co-doping on the structure, morphology, and luminescence properties of GdVO{sub 4}:Er{sup 3+}/Yb{sup 3+} phosphor prepared using a high-temperature solid-state chemistry method. The GdVO{sub 4}:Er{sup 3+}/Yb{sup 3+} powders synthesized with the Li{sup +} co-dopant (in concentrations of 0, 5, 10, and 15 mol%) are characterized by X-ray powder diffraction, scanning electron microscopy, and photoluminescence spectroscopy. Structural analysis showed that powders co-doped with Li{sup +} have larger crystallite sizes and slightly smaller crystal lattice parameters than powders prepared without Li{sup +} ions. Photoluminescence down-conversion (345-nm excitation) and up-conversion (980-nm excitation) spectra show characteristic Er{supmore » 3+} emissions, with the most intense bands peaking at 525 nm ({sup 2}H{sub 11/2}→{sup 4}I{sub 15/2} transition) and 552 nm ({sup 4}S{sub 3/2}→{sup 4}I{sub 15/2}). The intensity of up-conversion emission from GdVO{sub 4}:Er{sup 3+}/Yb{sup 3+} is enhanced (by a factor of four) by co-doping with 5 mol% of Li{sup +} ions. The mechanisms responsible for this emission enhancement are discussed. - Graphical abstract: UC emission spectra for GdVO{sub 4}:1.5-mol% Er{sup 3+}/20-mol% Yb{sup 3+} powders co-doped with different concentrations of Li{sup +} ions, recorded under 980-nm excitation. - Highlights: • 5-mol% Li{sup +} co-doped powders have 400% enhanced up-conversion emission intensity. • 15-mol% Li{sup +} co-doping produces 40% higher emission in down-conversion. • Li{sup +} co-doped powders have larger crystallite size and smaller lattice parameters.« less

Nonlinear optical properties of Nd3+-Li+ co-doped ZnS-PVP thin films

NASA Astrophysics Data System (ADS)

Talwatkar, S. S.; Sunatkari, A. L.; Tamgadge, Y. S.; Muley, G. G.

2018-04-01

The nonlinear optical properties of Nd3+-Li+ co-doped ZnS-PVP nanocomposite were studied using a continuous wave (CW) He-Ne laser (λ = 632.8 nm)by z-scan technique. The nonlinear refractive index (n2), absorption coefficient (β) and third order nonlinear susceptibility (χ(3)) of PVP thin films embedded with Nd3+-Li+ co-doped ZnS NPs was found in the order of 10-7 cm2/W, 10-6 cm/W and 10-7 esu respectively. The nonlinearity found increasing with Nd3+-Li+ co-dopant concentration. Based on the results, it is proposed that this material is a new class of luminescent material suitable in optoelectronics devices application, especially in light-emitting devices, electroluminescent devices, display devices, etc.

Chrystal structure properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} synthesized by solid state reaction method

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

Sandi, Dianisa Khoirum, E-mail: dianisa875@gmail.com; Suryana, Risa, E-mail: rsuryana@staff.uns.ac.id; Priyono, Slamet, E-mail: slam013@lipi.go.id

2016-02-08

This research aim is to analyze the effect of Aluminum (Al) doping in the structural properties of Al-doped Li{sub 4}Ti{sub 5}O{sub 12} as anode in lithium ion battery. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. LiOH.H{sub 2}O, TiO{sub 2}, and Al{sub 2}O{sub 3} were raw materials. These materials were milled for 15 h, calcined at temperature of 750{sup o}C and sintered at temperature of 800{sup o}C. Mole percentage of doping Al (x) was varied at x=0; x=0.025; and x =0.05. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} powders were synthesized by solid state reaction method. X-ray diffractionmore » was employed to determine the structure of Li{sub 4}Ti{sub 5}O{sub 12}. The PDXL software was performed on the x-ray diffraction data to estimate the phase percentage, the lattice parameter, the unit cell volume, and the crystal density. Al-doped Li{sub 4}Ti{sub 5}O{sub 12} has cubic crystal structure. Al-doping at x=0 and x=0.025 does not change the phase as Li{sub 4}Ti{sub 5}O{sub 12} while at x=0.050 the phase changes to the LiTiAlO{sub 4}. The diffraction patterns show that the angle shifted to the right as the increase of x which indicated that Al substitute Ti site. Percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase at x=0 and x=0.025 was 97.8% and 96.8%, respectively. However, the lattice parameters, the unit cell volume, and the crystal density does not change significantly at x=0; x=0.025; and x=0.050. Based on the percentage of Li{sub 4}Ti{sub 5}O{sub 12} phase, the Al-doped Li at x=0 and x=0.025 is promising as a lithium battery anode.« less

High electrical resistivity Nd-Fe-B die-upset magnet doped with eutectic DyF3-LiF salt mixture

NASA Astrophysics Data System (ADS)

Kim, K. M.; Kim, J. Y.; Kwon, H. W.; Kim, D. H.; Lee, J. G.; Yu, J. H.

2017-05-01

Nd-Fe-B-type die-upset magnet with high electrical resistivity was prepared by doping of eutectic DyF3-LiF salt mixture. Mixture of melt-spun Nd-Fe-B flakes (MQU-F: Nd13.6Fe73.6Co6.6Ga0.6B5.6) and eutectic binary (DyF3-LiF) salt (25 mol% DyF3 - 75 mol% LiF) was hot-pressed and then die-upset. By adding the eutectic salt mixture (> 4 wt%), electrical resistivity of the die-upset magnet was enhanced to over 400 μ Ω .cm compared to 190 μ Ω .cm of the un-doped magnet. Remarkable enhancement of the electrical resistivity was attributed to homogeneous and continuous coverage of the interface between flakes by the easily melted eutectic salt dielectric mixture. It was revealed that active substitution of the Nd atoms in neighboring flakes by the Dy atoms from the added (DyF3-LiF) salt mixture had occurred during such a quick thermal processing of hot-pressing and die-upsetting. This Dy substitution led to coercivity enhancement in the die-upset magnet doped with the eutectic (DyF3-LiF) salt mixture. Coercivity and remanence of the die-upset magnet doped with (DyF3-LiF) salt mixture was as good as those of the DyF3-doped magnet.

The effect of 0.025 Al-doped in Li4Ti5O12 material on the performance of half cell lithium ion battery

NASA Astrophysics Data System (ADS)

Priyono, Slamet; Triwibowo, Joko; Prihandoko, Bambang

2016-02-01

The effect of 0.025 Al-doped Li4Ti5O12 as anode material for Lithium Ion battery had been studied. The pure and 0.025 Al-doped Li4Ti5O12 were synthesized through solid state process in air atmosphere. Physical characteristics of all samples were observed by XRD, FTIR, and PSA. The XRD analysis revealed that the obtained particle was highly crystalline and had a face-centered cubic spinel structure. The XRD pattern also showed that the 0.025 Al-doped on the Li4Ti5O12 did not change crystal structure of Li4Ti5O12. FTIR analysis confirmed that the spinel structure in fingerprint region was unchanged when the structure was doped by 0.025 Al. However the doping of 0.025 Al increased particle size significantly. The electrochemical performance was studied by using cyclic voltammetry (CV) and charge-discharge (CD) curves. Electrochemical analysis showed that pure Li4Ti5O12 has higher capacity than 0.025 Al-doped Li4Ti5O12 had. But 0.025 Al-doped Li4Ti5O12 possesses a better cycling stability than pure Li4Ti5O12.

Successes and failures of Hubbard-corrected density functional theory. The case of Mg doped LiCoO 2

DOE PAGES

Santana Palacio, Juan A.; Kim, Jeongnim; Kent, Paul R.; ...

2014-10-28

We have evaluated the successes and failures of the Hubbard-corrected density functional theory approach to study Mg doping of LiCoO 2. We computed the effect of the U parameter on the energetic, geometric, and electronic properties of two possible doping mechanisms: (1) substitution of Mg onto a Co (or Li) site with an associated impurity state and (2) formation of impurity-state-free complexes of substitutional Mg and point defects in LiCoO 2. We find that formation of impurity states results in changes on the valency of Co in LiCoO 2. Variation of the Co U shifts the energy of the impuritymore » state, resulting in energetic, geometric, and electronic properties that depend significantly on the specific value of U. In contrast, the properties of the impurity-state-free complexes are insensitive to U. These results identify reasons for the strong dependence on the doping properties on the chosen value of U and for the overall difficulty of achieving agreement with the experimentally known energetic and electronic properties of doped transition metal oxides such as LiCoO 2.« less

ROS mediated malignancy cure performance of morphological, optical, and electrically tuned Sn doped CeO2 nanostructures

NASA Astrophysics Data System (ADS)

Abbas, Fazal; Iqbal, Javed; Maqbool, Qaisar; Jan, Tariq; Ullah, Muhammad Obaid; Nawaz, Bushra; Nazar, Mudassar; Naqvi, M. S. Hussain; Ahmad, Ishaq

2017-09-01

To grapple with cancer, implementation of differentially cytotoxic nanomedicines have gained prime attention of the researchers across the globe. Now, ceria (CeO2) at nanoscale has emerged as a cut out therapeutic agent for malignancy treatment. Keeping this in view, we have fabricated SnxCe1-xO2 nanostructures by facile, eco-friendly, and biocompatible hydrothermal method. Structural examinations via XRD and FT-IR spectroscopy have revealed single phase cubic-fluorite morphology while SEM analysis has depicted particle size ranging 30-50nm for pristine and doped nanostructures. UV-Vis spectroscopy investigation explored that Sn doping significantly tuned the band gap (eV) energies of SnxCe1-xO2 nanostructures which set up the base for tremendous cellular reactive oxygen species (ROS) generations involved in cancer cells' death. To observe cytotoxicity, synthesized nanostructures were found selectively more toxic to neuroblastoma cell lines as compared to HEK-293 healthy cells. This study anticipates that SnxCe1-xO2 nanostructures, in future, might be used as nanomedicine for safer cancer therapy.

Enhanced Charge Extraction of Li-Doped TiO₂ for Efficient Thermal-Evaporated Sb₂S₃ Thin Film Solar Cells.

PubMed

Lan, Chunfeng; Luo, Jingting; Lan, Huabin; Fan, Bo; Peng, Huanxin; Zhao, Jun; Sun, Huibin; Zheng, Zhuanghao; Liang, Guangxing; Fan, Ping

2018-02-28

We provided a new method to improve the efficiency of Sb₂S₃ thin film solar cells. The TiO₂ electron transport layers were doped by lithium to improve their charge extraction properties for the thermal-evaporated Sb₂S₃ solar cells. The Mott-Schottky curves suggested a change of energy band and faster charge transport in the Li-doped TiO₂ films. Compared with the undoped TiO₂, Li-doped mesoporous TiO₂ dramatically improved the photo-voltaic performance of the thermal-evaporated Sb₂S₃ thin film solar cells, with the average power conversion efficiency ( PCE ) increasing from 1.79% to 4.03%, as well as the improved open-voltage ( V oc ), short-circuit current ( J sc ) and fill factors. The best device based on Li-doped TiO₂ achieved a power conversion efficiency up to 4.42% as well as a V oc of 0.645 V, which are the highest values among the reported thermal-evaporated Sb₂S₃ solar cells. This study showed that Li-doping on TiO₂ can effectively enhance the charge extraction properties of electron transport layers, offering a new strategy to improve the efficiency of Sb₂S₃-based solar cells.

Dy3+ doped cubic zirconia nanostructures prepared via ultrasound route for display applications

NASA Astrophysics Data System (ADS)

Yadav, H. J. Amith; Eraiah, B.; Nagabhushana, H.; Basavaraj, R. B.; Deepthi, N. H.

2017-05-01

White light emitting dysprosium (Dy) doped Zirconia (ZrO2) nanostructures were prepared first time via ultrasound assisted sonochemical synthesis route using cetyltrimethylammonium bromide (CTAB) surfactant. The obtained product was well characterized. The powder X-ray diffraction (PXRD) profiles confirmed that the product was highly crystalline in nature with cubic phase. Various reaction parameters such as, effect of sonication time, concentration of the surfactant was studied in detail. Diffuse reflectance spectroscopy (DRS) was studied to evaluate the band gap energy of the products and the values were found in the range of 4.13 - 4.53 eV. The particle size was estimated by transmission electron microscope (TEM) and it was found in the range of 10-20 nm. Photoluminescence (PL) properties were studied in detail by recording emission spectra of all the Dy doped Zirconia nanostructures at an excitation wavelength of 350 nm. The emission peaks were observed at 480, 574 and 666 nm which corresponds to Dy3+ ion transitions. The 3 mol% Dy3+ doped ZrO2 nanostructures showed maximum intensity. Further photometric measurements were done by evaluating, Commission International De I-Eclairage (CIE) and correlated color temperature (CCT). From CIE it was observed that the color coordinates lies in white region. The color purity and quantum efficiency were also estimated and the results indicate that the nanophosphor obtained in this route can be used in preparing solid state lighting application.

Detectors based on Pd-doped and PdO-functionalized ZnO nanostructures

NASA Astrophysics Data System (ADS)

Postica, V.; Lupan, O.; Ababii, N.; Hoppe, M.; Adelung, R.; Chow, L.; Sontea, V.; Aschehoug, P.; Viana, V.; Pauporté, Th.

2018-02-01

In this work, zinc oxide (ZnO) nanostructured films were grown using a simple synthesis from chemical solutions (SCS) approach from aqueous baths at relatively low temperatures (< 95 °C). The samples were doped with Pd (0.17 at% Pd) and functionalized with PdO nanoparticles (NPs) using the PdCl2 aqueous solution and subsequent thermal annealing at 650 °C for 30 min. The morphological, micro-Raman and optical properties of Pd modified samples were investigated in detail and were demonstrated to have high crystallinity. Gas sensing studies unveiled that compared to pure ZnO films, the Pd-doped ZnO (ZnO:Pd) nanostructured films showed a decrease in ethanol vapor response and slight increase in H2 response with low selectivity. However, the PdO-functionalized samples showed excellent H2 gas sensing properties with possibility to detect H2 gas even at room temperature (gas response of 2). Up to 200 °C operating temperature the samples are highly selective to H2 gas, with highest response of 12 at 150 °C. This study demonstrates that surface functionalization of n-ZnO nanostructured films with p-type oxides is very important for improvement of gas sensing properties.

Mg Doping Induced Effects on Structural, Optical, and Electrical Properties as Well as Cytotoxicity of CeO2 Nanostructures

NASA Astrophysics Data System (ADS)

Iqbal, Javed; Jan, Tariq; Awan, M. S.; Naqvi, Sajjad Haider; Badshah, Noor; ullah, Asmat; Abbas, Fazzal

2016-04-01

Here, Mg x Ce1- x O2 (where x = 0, 0.01, 0.02, 0.03, 0.04, and 0.05) nanostructures have been successfully synthesized by using a simple, easy, and cost-effective soft chemical method. X-ray diffraction (XRD) patterns substantiate the single-phase formation of a CeO2 cubic fluorite structure for all samples. Infrared spectroscopy results depict the presence of peaks only related to Ce-O bonding, which confirms the XRD results. It has been observed via ultraviolet (UV)-visible spectroscopy that Mg doping has tuned the optical band gap of CeO2 significantly. The electrical conductivity of CeO2 nanostructures has been found to increase with Mg doping, which is attributed to enhancement in carrier concentration due to the different valance states of dopant and host ions. Selective cytotoxic behavior of Mg x Ce1- x O2 nanostructures has been determined for neuroblastoma (SH-SY5Y) cancerous and HEK-293 healthy cells. Both doped and undoped CeO2 nanostructures have been found to be toxic for cancer cells and safe toward healthy cells. This selective toxic behavior of the synthesized nanostructures has been assigned to the different levels of reactive oxygen species (ROS) generation in different types of cells. This makes the synthesized nanostructures a potential option for cancer therapy in the near future.

Enhanced electrochemical properties of F-doped Li2MnSiO4/C for lithium ion batteries

NASA Astrophysics Data System (ADS)

Wang, Chao; Xu, Youlong; Sun, Xiaofei; Zhang, Baofeng; Chen, Yanjun; He, Shengnan

2018-02-01

The Li2MnSiO4 as a novel cathode material for lithium ion batteries, performs high specific capacity, high thermal stability, low cost and etc. However, it suffers from relatively low electronic conductivity and lithium ion diffusion rate. Herein, we successfully introduce fluorine to Li2MnSiO4 (Li2MnSiO4-xFx, x = 0.00, 0.01, 0.03 and 0.05) to overcome these obstacles. The results show that F doping not only enlarges the lattice parameters but also decreases the particle size, synergistically improving the lithium ion diffusion of Li2MnSiO4. Moreover, F doping increase electronic conductivity of Li2MnSiO4/C by inhibiting the formation of C-O bonds in the carbon layers. Meanwhile, F doping improves the crystallinity and stabilizes the crystal structure of Li2MnSiO4. Finally, the Li2MnSiO3.97F0.03/C with the best electrochemical performances delivers the initial specific discharge capacity of 279 mA h g-1 at 25mA g-1 current density from 1.5 V to 4.8 V. Also, it maintains a higher capacity (201 mA h g-1) than F-free Li2MnSiO4 (145 mA h g-1) after 50 cycles.

Color tuning in neodymium doped dicalcium silicate nanostructures prepared via ultrasound method

NASA Astrophysics Data System (ADS)

Venkataravanappa, M.; Nagabhushana, H.; Basavaraj, R. B.; Venkatachalaiah, K. N.; Prasad, B. Daruka

2017-05-01

Blue light emitting neodymium (Nd) doped dicalcium (Ca2SiO4) silicate nanostructures were prepared for the first time via ultrasound assisted sonochemical synthesis route using cetyltrimethylammonium bromide (CTAB) surfactant. The obtained final product was well characterized. The powder X-ray diffraction (PXRD) profiles confirmed that product was highly crystalline in nature with monoclinic phase. Influence of various reaction parameters such as, the effect of sonication time, concentration of the surfactant and pH of the precursor solution on the morphology was studied in detail. Diffuse reflectance spectroscopy (DRS) was studied to evaluate the band gap energy of the products and the values were found in the range of 5.78 - 6.17 eV. The particle size was estimated by transmission electron microscope (TEM) and it was found in the range of 20-30 nm. Photoluminescence (PL) properties were studied in detail by recording emission spectra of all the Nd doped dicalcium silicate nanostructures at an excitation wavelength of 380 nm. The emission peaks were observed at 469, 520, 545 and 627 nm which corresponds to Nd3+ ion transitions. The 7 mol% Nd3+ doped Ca2SiO4 nanostructures showed maximum intensity. Further photometric measurements were done by evaluating, Commission International De I-Eclairage (CIE) and correlated color temperature (CCT). From CIE it was observed that the color coordinates lies in blue-green region, which slightly shifts to green as the Nd3+ concentration increases. The color purity and quantum efficiency were also estimated and the results indicate that the nanophosphor obtained in this route can be used in preparing light emitting diodes with a blue-green emission as prominent color.

Facile hydrothermal synthesis and characterization of cesium-doped PbI2 nanostructures for optoelectronic, radiation detection and photocatalytic applications

NASA Astrophysics Data System (ADS)

Shkir, Mohd; AlFaify, S.; Yahia, I. S.; Hamdy, Mohamed S.; Ganesh, V.; Algarni, H.

2017-10-01

Low-temperature hydrothermal-assisted synthesis of pure and cesium (Cs) (1, 3, 5, 7 and 10 wt%) doped lead iodide (PbI2) nanorods and nanosheets have been achieved successfully for the first time. The structural and vibrational studies confirm the formation of a 2H-polytypic PbI2 predominantly. Scanning electron microscope analysis confirms the formation of well-aligned nanorods of average size 100 nm at low concentration and nanosheets of average thicknesses in the range of 20-40 nm at higher concentrations of Cs doping. The presence of Cs doping was confirmed by energy dispersive X-ray study. Ultra-violet-visible absorbance spectra were recorded, and energy gap was calculated in the range of 3.33 to 3.45 eV for pure and Cs-doped PbI2 nanostructures which is higher than the bulk value (i.e., 2.27 eV) due to quantum confinement effect. Dielectric constant, loss, and AC conductivity studies have been done. Enhancement in Gamma linear absorption coefficient due to Cs doping confirms the suitability of prepared nanostructures for radiation detection applications. Furthermore, the photocatalytic performance of the synthesized nanostructures was evaluated in the decolorization of methyl green (MG) and methyl orange (MO) under the illumination of visible light (λ > 420 nm). The observed photocatalytic activity for 5 and 7 wt% Cs-doped PbI2 was observed to be more than pure PbI2 and also > 10 times higher than the commercially available photocatalysts. The results suggest that the prepared nanostructures are highly applicable in optoelectronic, radiation detection and many other applications. [Figure not available: see fulltext.

Enhanced room temperature ferromagnetism in electrodeposited Co-doped ZnO nanostructured thin films by controlling the oxygen vacancy defects

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

Simimol, A.; Department of Physics, National Institute of Technology Calicut, Calicut 673601; Anappara, Aji A.

We report the growth of un-doped and cobalt doped ZnO nanostructures fabricated on FTO coated glass substrates using electrodeposition method. A detailed study on the effects of dopant concentration on morphology, structural, optical, and magnetic properties of the ZnO nanostructures has been carried out systematically by varying the Co concentration (c.{sub Co}) from 0.01 to 1 mM. For c.{sub Co }≤ 0.2 mM, h-wurtzite phase with no secondary phases of Co were present in the ZnO nanostructures. For c.{sub Co} ≤ 0.2 mM, the photoluminescence spectra exhibited a decrease in the intensity of ultraviolet emission as well as band-gap narrowing with an increase in dopantmore » concentration. All the doped samples displayed a broad emission in the visible range and its intensity increased with an increase in Co concentration. It was found that the defect centers such as oxygen vacancies and zinc interstitials were the source of the visible emission. The X-ray photoelectron spectroscopy studies revealed, Co was primarily in the divalent state, replacing the Zn ion inside the tetrahedral crystal site of ZnO without forming any cluster or secondary phases of Co. The un-doped ZnO nanorods exhibited diamagnetic behavior and it remained up to a c.{sub Co} of 0.05 mM, while for c.{sub Co }> 0.05 mM, the ZnO nanostructures exhibited ferromagnetic behavior at room temperature. The coercivity increased to 695 G for 0.2 mM Co-doped sample and then it decreased for c.{sub Co }> 0.2 mM. Our results illustrate that up to a threshold concentration of 0.2 mM, the strong ferromagnetism is due to the oxygen vacancy defects centers, which exist in the Co-doped ZnO nanostructures. The origin of strong ferromagnetism at room temperature in Co-doped ZnO nanostructures is attributed to the s-d exchange interaction between the localized spin moments resulting from the oxygen vacancies and d electrons of Co{sup 2+} ions. Our findings provide a new insight for

Ce3+ doping into 0.6Li2MnO3·0.4LiNi0.5Co0.2Mn0.3O2 as cathode material for Li-ion batteries applied in new energy vehicle

NASA Astrophysics Data System (ADS)

Peng, Han; Yao, Linxiao; Zhang, Ming

2018-06-01

The pristine Li1.20[Mn0.52Ni0.20Co0.08]O2 and Ce3+-doped Li1.20[Mn0.50Ni0.20Co0.08Ce0.02]O2 cathode materials have been synthesized by using the typical sol-gel method. The XRD, SEM, ICP-OES and galvanostatic charge-discharge tests were carried out to study the influence of Ce3+ doping on the crystal structural, morphology and electrochemical properties of Li1.20Mn0.54Ni0.13Co0.13O2. The XRD result revealed the Ce3+ doping modification could decrease the cation mixing degree. The galvanostatic charge-discharge tests results showed that the sample after Ce3+ doping demonstrated the smaller irreversible capacity loss, more stable cyclic performance and better rate capacity than those of the pristine one.

Integrated study of first principles calculations and experimental measurements for Li-ionic conductivity in Al-doped solid-state LiGe2(PO4)3 electrolyte

NASA Astrophysics Data System (ADS)

Kang, Joonhee; Chung, Habin; Doh, Chilhoon; Kang, Byoungwoo; Han, Byungchan

2015-10-01

Understanding of the fundamental mechanisms causing significant enhancement of Li-ionic conductivity by Al3+ doping to a solid LiGe2(PO4)3 (LGP) electrolyte is pursued using first principles density functional theory (DFT) calculations combined with experimental measurements. Our results indicate that partial substitution Al3+ for Ge4+ in LiGe2(PO4)3 (LGP) with aliovalent (Li1+xAlxGe2-x(PO4)3, LAGP) improves the Li-ionic conductivity about four-orders of the magnitude. To unveil the atomic origin we calculate plausible diffusion paths of Li in LGP and LAGP materials using DFT calculations and a nudged elastic band method, and discover that LAGP had additional transport paths for Li with activation barriers as low as only 34% of the LGP. Notably, these new atomic channels manifest subtle electrostatic environments facilitating cooperative motions of at least two Li atoms. Ab-initio molecular dynamics predict Li-ionic conductivity for the LAGP system, which is amazingly agreed experimental measurement on in-house made samples. Consequently, we suggest that the excess amounts of Li caused by the aliovalent Al3+ doping to LGP lead to not only enhancing Li concentration but also opening new conducting paths with substantially decreases activation energies and thus high ionic conductivity of LAGP solid-state electrolyte.

Phosphorus and Cu2+ removal by periphytic biofilm stimulated by upconversion phosphors doped with Pr3+-Li.

PubMed

Zhu, Yan; Zhang, Jianhong; Zhu, Ningyuan; Tang, Jun; Liu, Junzhuo; Sun, Pengfei; Wu, Yonghong; Wong, Po Keung

2018-01-01

Upconversion phosphors (UCPs) can convert visible light into luminescence, such as UV, which can regulate the growth of microbes. Based on these fundamentals, the community composition of periphytic biofilms stimulated by UCPs doped with Pr 3+ -Li + was proposed to augment the removal of phosphorus (P) and copper (Cu). Results showed that the biofilms with community composition optimized by UCPs doped with Pr 3+ -Li + had high P and Cu 2+ removal rates. This was partly due to overall bacterial and algal abundance and biomass increases. The synergistic actions of algal, bacterial biomass and carbon metabolic capacity in the Pr-Li stimulated biofilms facilitated the removal of P and Cu 2+ . The results show that the stimulation of periphytic biofilms by lanthanide-doped UCPs is a promising approach for augmenting P and Cu 2+ removal. Copyright © 2017 Elsevier Ltd. All rights reserved.

Structure–property insights into nanostructured electrodes for Li-ion batteries from local structural and diffusional probes

DOE PAGES

Laveda, Josefa Vidal; Johnston, Beth; Paterson, Gary W.; ...

2017-12-04

Microwave heating presents a faster, lower energy synthetic methodology for the realization of functional materials. Here, we demonstrate for the first time that employing this method also leads to a decrease in the occurrence of defects in olivine structured LiFe 1–xMn xPO 4. For example, the presence of antisite defects in this structure precludes Li + diffusion along the b-axis leading to a significant decrease in reversible capacities. Total scattering measurements, in combination with Li + diffusion studies using muon spin relaxation (μ+SR) spectroscopy, reveal that this synthetic method generates fewer defects in the nanostructures compared to traditional solvothermal routes.more » Our interest in developing these routes to mixed-metal phosphate LiFe 1–xMn xPO 4 olivines is due to the higher Mn 2+/ 3+ redox potential in comparison to the Fe 2+/ 3+ pair. Here, single-phase LiFe 1–xMn xPO 4 (x = 0, 0.25, 0.5, 0.75 and 1) olivines have been prepared following a microwave-assisted approach which allows for up to 4 times faster reaction times compared to traditional solvothermal methods. Interestingly, the resulting particle morphology is dependent on the Mn content. We also examine their electrochemical performance as active electrodes in Li-ion batteries. In conclusion, these results present microwave routes as highly attractive for reproducible, gram-scale syntheses of high quality nanostructured electrodes which display close to theoretical capacity for the full iron phase.« less

Structure–property insights into nanostructured electrodes for Li-ion batteries from local structural and diffusional probes

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

Laveda, Josefa Vidal; Johnston, Beth; Paterson, Gary W.

Microwave heating presents a faster, lower energy synthetic methodology for the realization of functional materials. Here, we demonstrate for the first time that employing this method also leads to a decrease in the occurrence of defects in olivine structured LiFe 1–xMn xPO 4. For example, the presence of antisite defects in this structure precludes Li + diffusion along the b-axis leading to a significant decrease in reversible capacities. Total scattering measurements, in combination with Li + diffusion studies using muon spin relaxation (μ+SR) spectroscopy, reveal that this synthetic method generates fewer defects in the nanostructures compared to traditional solvothermal routes.more » Our interest in developing these routes to mixed-metal phosphate LiFe 1–xMn xPO 4 olivines is due to the higher Mn 2+/ 3+ redox potential in comparison to the Fe 2+/ 3+ pair. Here, single-phase LiFe 1–xMn xPO 4 (x = 0, 0.25, 0.5, 0.75 and 1) olivines have been prepared following a microwave-assisted approach which allows for up to 4 times faster reaction times compared to traditional solvothermal methods. Interestingly, the resulting particle morphology is dependent on the Mn content. We also examine their electrochemical performance as active electrodes in Li-ion batteries. In conclusion, these results present microwave routes as highly attractive for reproducible, gram-scale syntheses of high quality nanostructured electrodes which display close to theoretical capacity for the full iron phase.« less

Facile synthesis and enhanced visible light photocatalytic activity of N and Zr co-doped TiO2 nanostructures from nanotubular titanic acid precursors

NASA Astrophysics Data System (ADS)

Zhang, Min; Yu, Xinluan; Lu, Dandan; Yang, Jianjun

2013-12-01

Zr/N co-doped TiO2 nanostructures were successfully synthesized using nanotubular titanic acid (NTA) as precursors by a facile wet chemical route and subsequent calcination. These Zr/N-doped TiO2 nanostructures made by NTA precursors show significantly enhanced visible light absorption and much higher photocatalytic performance than the Zr/N-doped P25 TiO2 nanoparticles. Impacts of Zr/N co-doping on the morphologies, optical properties, and photocatalytic activities of the NTA precursor-based TiO2 were thoroughly investigated. The origin of the enhanced visible light photocatalytic activity is discussed in detail.

Facile synthesis and enhanced visible light photocatalytic activity of N and Zr co-doped TiO2 nanostructures from nanotubular titanic acid precursors

PubMed Central

2013-01-01

Zr/N co-doped TiO2 nanostructures were successfully synthesized using nanotubular titanic acid (NTA) as precursors by a facile wet chemical route and subsequent calcination. These Zr/N-doped TiO2 nanostructures made by NTA precursors show significantly enhanced visible light absorption and much higher photocatalytic performance than the Zr/N-doped P25 TiO2 nanoparticles. Impacts of Zr/N co-doping on the morphologies, optical properties, and photocatalytic activities of the NTA precursor-based TiO2 were thoroughly investigated. The origin of the enhanced visible light photocatalytic activity is discussed in detail. PMID:24369051

Facile synthesis and enhanced visible light photocatalytic activity of N and Zr co-doped TiO2 nanostructures from nanotubular titanic acid precursors.

PubMed

Zhang, Min; Yu, Xinluan; Lu, Dandan; Yang, Jianjun

2013-12-26

Zr/N co-doped TiO2 nanostructures were successfully synthesized using nanotubular titanic acid (NTA) as precursors by a facile wet chemical route and subsequent calcination. These Zr/N-doped TiO2 nanostructures made by NTA precursors show significantly enhanced visible light absorption and much higher photocatalytic performance than the Zr/N-doped P25 TiO2 nanoparticles. Impacts of Zr/N co-doping on the morphologies, optical properties, and photocatalytic activities of the NTA precursor-based TiO2 were thoroughly investigated. The origin of the enhanced visible light photocatalytic activity is discussed in detail.

Ultraviolet photorefractive effect in Mg-doped near-stoichiometric LiNbO 3

NASA Astrophysics Data System (ADS)

Zhu, Dengsong; Xu, Jingjun; Qiao, Haijun; Shi, Yanli; Gao, Feng; Li, Wei; Fu, Bo; Zhang, Guaquan; Zheng, Ke

2006-10-01

The ultraviolet photorefractive effect of Mg-doped near-stoichiometric LiNbO3 crystals prepared by vapor transport equilibration (VTE) technique was studied at 351 nm. It was found in the near-stoichiometric LiNbO3 crystals that the ultraviolet photorefractive effect could be enhanced greatly with the increase of Mg concentration. Based on the activation energy of dark decay of the photorefractive grating, possible centers responsible for the ultraviolet photorefractive effect were also discussed.

TiO2 Nanostructures as Anode Materials for Li/Na-ion Batteries.

PubMed

Vazquez-Santos, Maria B; Tartaj, Pedro; Morales, Enrique; Amarilla, Jose Manuel

2018-03-14

Here we summarize some results on the use of TiO 2 nanostructures as anode materials for more efficient Li-ion (LIBs) and Na-ion (NIBs) batteries. LIBs are the leader to power portable electronic devices, and represent in the short-term the most adequate technology to power electrical vehicles, while NIBs hold promise for large storage of energy generated from renewable sources. Specifically, TiO 2 an abundant, low cost, chemically stable and environmentally safe oxide represents in LIBs an alternative to graphite for applications in which safety is mandatory. For NIBs, TiO 2 anodes (or more precisely negative electrodes) work at low voltage, assuring acceptable energy density values. Finally, assembling different TiO 2 polymorphs in the form of nanostructures decreases diffusion distances, increases the number of contacts and offering additional sites for Na + storage, helping to improve power efficiency. More specifically, in this contribution we highlighted our work on TiO 2 anatase mesocrystals of colloidal size. These sophisticate materials; showing excellent textural properties, have remarkable electrochemical performance as anodes for Li/Na-ion batteries, with conventional alkyl carbonates electrolytes and safe electrolytes based on ionic liquids. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical stability and Ce doping of LiMgAlF 6 neutron scintillator

DOE PAGES

Du, M. H.

2014-11-13

We perform density functional calculations to investigate LiMgAlF 6 as a potential neutron scintillator material. The calculations of enthalpy of formation and phase diagram show that single-phase LiMgAlF 6 can be grown but it should be more difficult than growing LiCaAlF 6 and LiSrAlF 6. Moreover, the formation energy calculations for substitutional Ce show that the concentration of Ce on the Al site is negligible but a high concentration (>1 at.%) of Ce on the Mg site is attainable provided that the Fermi level is more than 5 eV lower than the conduction band minimum. Acceptor doping should promote Cemore » incorporation in LiMgAlF 6.« less

Carbon-doped SnS2 nanostructure as a high-efficiency solar fuel catalyst under visible light.

PubMed

Shown, Indrajit; Samireddi, Satyanarayana; Chang, Yu-Chung; Putikam, Raghunath; Chang, Po-Han; Sabbah, Amr; Fu, Fang-Yu; Chen, Wei-Fu; Wu, Chih-I; Yu, Tsyr-Yan; Chung, Po-Wen; Lin, M C; Chen, Li-Chyong; Chen, Kuei-Hsien

2018-01-12

Photocatalytic formation of hydrocarbons using solar energy via artificial photosynthesis is a highly desirable renewable-energy source for replacing conventional fossil fuels. Using an L-cysteine-based hydrothermal process, here we synthesize a carbon-doped SnS 2 (SnS 2 -C) metal dichalcogenide nanostructure, which exhibits a highly active and selective photocatalytic conversion of CO 2 to hydrocarbons under visible-light. The interstitial carbon doping induced microstrain in the SnS 2 lattice, resulting in different photophysical properties as compared with undoped SnS 2 . This SnS 2 -C photocatalyst significantly enhances the CO 2 reduction activity under visible light, attaining a photochemical quantum efficiency of above 0.7%. The SnS 2 -C photocatalyst represents an important contribution towards high quantum efficiency artificial photosynthesis based on gas phase photocatalytic CO 2 reduction under visible light, where the in situ carbon-doped SnS 2 nanostructure improves the stability and the light harvesting and charge separation efficiency, and significantly enhances the photocatalytic activity.

Robust indirect band gap and anisotropy of optical absorption in B-doped phosphorene.

PubMed

Wu, Zhi-Feng; Gao, Peng-Fei; Guo, Lei; Kang, Jun; Fang, Dang-Qi; Zhang, Yang; Xia, Ming-Gang; Zhang, Sheng-Li; Wen, Yu-Hua

2017-12-06

A traditional doping technique plays an important role in the band structure engineering of two-dimensional nanostructures. Since electron interaction is changed by doping, the optical and electrochemical properties could also be significantly tuned. In this study, density functional theory calculations have been employed to explore the structural stability, and electronic and optical properties of B-doped phosphorene. The results show that all B-doped phosphorenes are stable with a relatively low binding energy. Of particular interest is that these B-doped systems exhibit an indirect band gap, which is distinct from the direct one of pure phosphorene. Despite the different concentrations and configurations of B dopants, such indirect band gaps are robust. The screened hybrid density functional HSE06 predicts that the band gap of B-doped phosphorene is slightly smaller than that of pure phosphorene. Spatial charge distributions at the valence band maximum (VBM) and the conduction band minimum (CBM) are analyzed to understand the features of an indirect band gap. By comparison with pure phosphorene, B-doped phosphorenes exhibit strong anisotropy and intensity of optical absorption. Moreover, B dopants could enhance the stability of Li adsorption on phosphorene with less sacrifice of the Li diffusion rate. Our results suggest that B-doping is an effective way of tuning the band gap, enhancing the intensity of optical absorption and improving the performances of Li adsorption, which could promote potential applications in novel optical devices and lithium-ion batteries.

Fabrication of hollow boron-doped diamond nanostructure via electrochemical corrosion of a tungsten oxide template.

PubMed

Lim, Young-Kyun; Lee, Eung-Seok; Lee, Choong-Hyun; Lim, Dae-Soon

2018-08-10

In the study, a hollow boron-doped diamond (BDD) nanostructure electrode is fabricated to increase the reactive surface area for electrochemical applications. Tungsten oxide nanorods are deposited on the silicon substrate as a template by the hot filament chemical vapor deposition (HFCVD) method. The template is coated with a 100 nm BDD layer deposited by HFCVD to form a core-shell nanostructure. The WO x core is finally electrochemically dissolved to form hollow BDD nanostructure. The fabricated hollow BDD nanostructure electrode is investigated via scanning electron microscopy, transmission electron microscopy, and Raman spectroscopy. The specific surface areas of the electrodes were analyzed and compared by using Brunauer-Emmett-Teller method. Furthermore, cyclic voltammetry and chronocoulometry are used to investigate the electrochemical characteristics and the reactive surface area of the as-prepared hollow BDD nanostructure electrode. A hollow BDD nanostructure electrode exhibits a reactive area that is 15 times that of a planar BDD thin electrode.

Improving the electrochemical performances of Li-rich Li1.20Ni0.13Co0.13Mn0.54O2 through a cooperative doping of Na+ and PO43- with Na3PO4

NASA Astrophysics Data System (ADS)

Liu, Yi; Ning, De; Zheng, Lirong; Zhang, Qinghua; Gu, Lin; Gao, Rui; Zhang, Jicheng; Franz, Alexandra; Schumacher, Gerhard; Liu, Xiangfeng

2018-01-01

Li-rich layered oxide cathodes suffer from poor rate capability, voltage decay and inferior cycling stability. Herein, we propose a novel synergistic strategy to improve the electrochemical performances of Li-rich Li1.20Ni0.13Co0.13Mn0.54O2 by the co-doping of Na+ and PO43-. The co-doping of Na+ for Li and PO43- for Mn is simultaneously achieved using Na3PO4 as a dopant. The co-doping of Na+ and PO43- not only enhances the high-rate performance (106.4 mAhg-1@10C) and capacity retention (93.8%@1C@100 cycles) but also mitigates the voltage decay owing to the synergistic effect of Na+ and PO43- co-doping. The synergistic mechanism is unraveled based on neutron diffraction, aberration-corrected scanning transmission electron microscope, X-ray photoelectron spectroscopy, ex-situ X-ray absorption spectra, ex-situ X-ray diffraction, electrochemical impedance spectroscopy and electrochemical measurements. The co-doping of Na+ and PO43- enlarges the interlayer spacing and suppresses Li/Ni mixing which increases Li+ diffusivity and enhances the rate capability. Meanwhile, the co-doping of Na+ and PO43- shrinks the thickness of the slabs, weakens the TM-O covalency and alleviates the volume change in the charge/discharge process which improves the layered structure stability and the cycling performances. This study presents some new insights into designing high performance cathode materials through a cooperative modulation of different crystal sites doping.

Surfactant-assisted hydrothermal crystallization of nanostructured lithium metasilicate (Li{sub 2}SiO{sub 3}) hollow spheres: (I) Synthesis, structural and microstructural characterization

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

Ortiz-Landeros, J.; Departamento de Ingenieria Metalurgica, Escuela Superior de Ingenieria Quimica e Industrias Extractivas, IPN, UPALM, Av. Instituto Politecnico Nacional s/n, CP 07738, Mexico DF; Contreras-Garcia, M.E.

Lithium metasilicate (Li{sub 2}SiO{sub 3}) was successfully synthesized using a hydrothermal process in the presence of different surfactants with cationic, non-ionic and anionic characters. The samples obtained were compared to a sample prepared by the conventional solid-state reaction method. The structural and microstructural characterizations of different Li{sub 2}SiO{sub 3} powders were performed using various techniques. Diffraction analyses revealed the successful crystallization of pure Li{sub 2}SiO{sub 3} single phase by hydrothermal technique, even without further heat-treatments and independent of the surfactant used. Electron microscopy analyses revealed that Li{sub 2}SiO{sub 3} powders were composed of uniform micrometric particles with a hollow spheremore » morphology and nanostructured walls. Finally, different thermal analyses showed that Li{sub 2}SiO{sub 3} samples preserved their structure and microstructure after further thermal treatments. Specific aspects regarding the formation mechanism of the spherical aggregates under hydrothermal conditions are discussed, and there is a special emphasis on the effect of the synthesis pathway on the morphological characteristics. -- Graphical abstract: Li{sub 2}SiO{sub 3} was synthesized using a hydrothermal process in the presence of different surfactants. Li{sub 2}SiO{sub 3} powders were composed of uniform micrometric particles with a hollow sphere morphology and nanostructured walls. Display Omitted Highlights: {yields} Pure Li{sub 2}SiO{sub 3} was synthesized by the hydrothermal method. {yields} Surfactant addition produced microstructural and morphological variations. {yields} TEM reveled the generation of nanostructured hollow spheres.« less

Combination of lightweight elements and nanostructured materials for batteries.

PubMed

Chen, Jun; Cheng, Fangyi

2009-06-16

), Co(3)O(4), TiS(2), and Ni(OH)(2) in battery applications. Electrochemical investigations reveal that we generally attain larger capacities and improved kinetics for electrode materials as their average particle size decreases. Novel nanostructures such as nanowires, nanotubes, nanourchins, and porous nanospheres show lower activation energy, enhanced reactivity, improved high-rate charge/discharge capability, and more controlled structural flexibility than their bulk counterparts. In particular, anode materials such as Si nanospheres and Fe(2)O(3) nanotubes can deliver reversible capacity exceeding 500 mA.h/g. (Graphite used commercially has a theoretical capacity of 372 mA x h/g.) Nanocomposite cathode materials such as NiP-doped LiFePO(4) and metal hydroxide-coated Ni(OH)(2) nanotubes allow us to integrate functional components, which enhance electrical conductivity and suppress volume expansion. Therefore, shifting from bulk to nanostructured electrode materials could offer a revolutionary opportunity to develop advanced green batteries with large capacity, high energy and power density, and long cycle life.

Synthesis and characterization of lithium aluminum-doped spinel (LiAl xMn 2- xO 4) for lithium secondary battery

NASA Astrophysics Data System (ADS)

Lee, Yun-Sung; Kumada, Naoki; Yoshio, Masaki

LiAl xMn 2- xO 4 has been synthesized using various aluminum starting materials, such as Al(NO 3) 3, Al(OH) 3, AlF 3 and Al 2O 3 at 600-800°C for 20 h in air or oxygen atmosphere. A melt-impregnation method was used to synthesize Al-doped spinel with good battery performance in this research. The Al-doped content and the intensity ratio of (3 1 1)/(4 0 0) peaks can be important parameters in synthesizing Al-doped spinel which satisfies the requirements of high discharge capacity and good cycleability at the same time. The decrease in Mn 3+ ion by Al substitution induces a high average oxidation state of Mn ion in the LiAl xMn 2- xO 4 material. The electrochemical behavior of all samples was studied in Li/LiPF 6-EC/DMC (1:2 by volume)/LiAl xMn 2- xO 4 cells. Especially, the initial and last discharge capacity of LiAl 0.09Mn 1.97O 4 using LiOH, Mn 3O 4 and Al(OH) 3 complex were 128.7 and 115.5 mAh/g after 100 cycles. The Al substitution in LiMn 2O 4 was an excellent method of enhancing the cycleability of stoichiometric spinel during electrochemical cycling.

Influences of neodymium doping on magnetic and electrochemical properties of Li3V2(PO4)3/C synthesized via a sol-gel method

NASA Astrophysics Data System (ADS)

Liu, Liying; Qiu, Yongbin; Mai, Yongzhi; Wu, Qibai; Zhang, Haiyan

2015-11-01

A series of neodymium doped Li3V2-xNdx(PO4)3/C cathode materials have been successfully synthesized by a citric acid assisted sol-gel method. Nd doped samples (x ≤ 0.10) have well developed monoclinic structure of Li3V2(PO4)3 with enlarged unit cell volume. All samples present typical characteristics of paramagnetism in 4 < T ≤ 300 K, but the magnetic susceptibilities of Nd doped samples increase with Nd content (except for x = 0.15). Nd doped composites show better electrochemical property than that of the undoped one. Among them, the Li3V1.95Nd0.05(PO4)3/C displays the highest capacity and best cycle stability. The Li3V1.95Nd0.05(PO4)3/C presents the first discharge capacity of 129.2 mAh g-1 at 1 C rate in the voltage range of 3.0-4.3 V, 21.7% higher than that of Li3V2(PO4)3/C. And no capacity loss occurs after 100 cycles. The high structural stability, low charge-transfer resistance and rapid Li+ diffusion due to the presence of Nd3+ are mainly responsible for the superior electrochemical performance of Nd doped Li3V2(PO4)3/C cathode materials.

Using a double-doping strategy to improve physical properties of nanostructured CdO films

NASA Astrophysics Data System (ADS)

Aydin, R.; Sahin, B.

2018-06-01

In this present study nanostructured dually doped samples of Cd1‑x‑yMgxMyO (M: Sn, Pb, Bi) are synthesized by SILAR method. The effects of the mono and dual doping on the structural, morphological and optoelectronic characteristics of CdO nanoparticles are examined. The SEM images verify that deposited CdO films are nano-sized. Also the SEM computations demonstrated that the morphological surface structures of the films were influenced from the Mg mono doping and (Mg, Sn), (Mg, Pb) and (Mg, Bi) dual doping. The XRD designs specified that all the CdO samples have polycrystalline structure exhibiting cubic crystal form with dominant peaks of (111) and (220). The results display that Mg and (Mg, Sn), (Mg, Pb) and (Mg, Bi) ions were successfully doped into CdO film matrix. The UV spectroscopy results show that the optical energy band gap of the CdO films, ranging from 2.21 to 2.66 eV, altered with the dopant materials.

Luminescence spectra of chromium-doped LiGaO 2 crystals as indicator of their phase heterogeneity

NASA Astrophysics Data System (ADS)

Meylman, Mikhail L.

2006-02-01

The luminescent properties of chromium-doped LiGaO2 single crystals grown from melt by Cz pulling technique are considered and compared with similar data for the other stable crystalline compounds in Li2O-Ga2O3 oxide system. It is proposed that co-crystallization of large LiGaO2 single crystal and a great number of LiGa5O8 spinel microcrystallites of nano scale dimensions is the key cause for appearance of numerous inclusions observed in LiGaO2 plates used as substrates at the III nitride films epitaxial growth.

The effect of cation doping on spinel LiMn 2O 4: a first-principles investigation

NASA Astrophysics Data System (ADS)

Shi, Siqi; Ouyang, Chuying; Wang, Ding-sheng; Chen, Liquan; Huang, Xuejie

2003-05-01

The effect of the cation doping on the electronic structure of spinel LiM yMn 2- yO 4 (M=Cr, Mn, Fe, Co and Ni) has been calculated by first-principles. Our calculation shows that new M-3d bands emerge in the density of states compared with that in LiMn 2O 4. Simultaneously, the new O-2p bands appear accordingly in almost the same energy range around the Fermi energy owing to the M-3d/O-2p interaction. It is found that the appearance of new O-2p bands in the lower energy position results in a higher intercalation voltage. Consequently, the origin of higher intercalation voltage in LiM yMn 2- yO 4 can be ascribed to the lower O-2p level introduced by the doping cation M.

Effects of iron deficiency on anisotropy and ferromagnetic resonance linewidth in Bi-doped LiZn ferrite

NASA Astrophysics Data System (ADS)

Jiang, Xiaona; Wang, Wei; Yu, Zhong; Sun, Ke; Lan, Zhongwen; Zhang, Xinran; Harris, Vincent G.

2017-05-01

Bi-doped LiZn ferrites with different iron deficiencies were fabricated by a conventional ceramic method. Anisotropy constant (K1) was calculated and ferromagnetic resonance (FMR) linewidth (ΔH) was investigated. Crystalline anisotropy broadening linewidth (ΔHa) and porosity broadening linewidth (ΔHp) were derived by an approximate calculation based on dipolar narrowing theory, which play a significant role in contributions to FMR linewidth and occupy more than 90 % of ΔH. Physical and static magnetic properties of LiZn ferrite with iron deficiency are presented, which supports a decline in linewidths with increasing iron deficiency. Iron deficiency makes K1, ΔHa and ΔHp reduce. The results also show that ΔHp is the majority of contributions to ΔH in Bi-doped LiZn ferrite and densification is an effective method to decrease ΔH.

Growth of LiNbO{sub 3}:Er Crystals and concentration dependences of their properties

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

Palatnikov, M. N., E-mail: palat-mn@chemy.kolasc.net.ru; Biryukova, I. V.; Shcherbina, O. B.

2016-11-15

A series of lithium niobate (LiNbO{sub 3}) crystals of congruent and stoichiometric compositions, doped with erbium, have been grown under non-steady-state thermal conditions. A series of LiNbO{sub 3}:Zn crystals, nominally pure LiNbO{sub 3} crystals of congruent and stoichiometric compositions, and a LiNbO{sub 3}:B crystal have also been grown. Both growth conditions and concentration dependences of physicochemical, ferroelectric, and structural characteristics of LiNbO{sub 3}:Er crystals are investigated. The growth regular domain microstructures and periodic nanostructures in LiNbO{sub 3}:Er crystals are analyzed by optical microscopy and atomic force microscopy (AFM). A comparative study of the optical homogeneity and photorefractive properties of LiNbO{submore » 3}:Er crystals of congruent and stoichiometric compositions and the Raman spectra of LiNbO{sub 3} crystals of different compositions is performed.« less

Enhanced Charge Extraction of Li-Doped TiO2 for Efficient Thermal-Evaporated Sb2S3 Thin Film Solar Cells

PubMed Central

Lan, Chunfeng; Luo, Jingting; Lan, Huabin; Fan, Bo; Peng, Huanxin; Zhao, Jun; Sun, Huibin; Zheng, Zhuanghao; Liang, Guangxing; Fan, Ping

2018-01-01

We provided a new method to improve the efficiency of Sb2S3 thin film solar cells. The TiO2 electron transport layers were doped by lithium to improve their charge extraction properties for the thermal-evaporated Sb2S3 solar cells. The Mott-Schottky curves suggested a change of energy band and faster charge transport in the Li-doped TiO2 films. Compared with the undoped TiO2, Li-doped mesoporous TiO2 dramatically improved the photo-voltaic performance of the thermal-evaporated Sb2S3 thin film solar cells, with the average power conversion efficiency (PCE) increasing from 1.79% to 4.03%, as well as the improved open-voltage (Voc), short-circuit current (Jsc) and fill factors. The best device based on Li-doped TiO2 achieved a power conversion efficiency up to 4.42% as well as a Voc of 0.645 V, which are the highest values among the reported thermal-evaporated Sb2S3 solar cells. This study showed that Li-doping on TiO2 can effectively enhance the charge extraction properties of electron transport layers, offering a new strategy to improve the efficiency of Sb2S3-based solar cells. PMID:29495612

Nanostructured LiMPO4 (M = Fe, Mn, Co, Ni) - carbon composites as cathode materials for Li-ion battery

NASA Astrophysics Data System (ADS)

Dimesso, L.; Spanheimer, C.; Nguyen, T. T. D.; Hausbrand, R.; Jaegermann, W.

2012-10-01

Nanostructured materials are considered to be strong candidates for fundamental advances in efficient storage and/or conversion. In nanostructured materials transport kinetics and surface processes play determining roles. This work describes recent developments in the synthesis and characterization of composites which consist of lithium metal phosphates (LiMPO4, M = Fe, Mn, Co, Ni) coated on nanostructured carbon supports (unordered nanofibers, foams). The composites have been prepared by coating the carbon structures in aqueous (or polyols) solutions containing lithium, metal ions and phosphates. After drying out, the composites have been thermally treated at different temperatures (between 600-780°C) for 5-12 hours under nitrogen. The formation of the olivine structured phase was confirmed by the X-ray diffraction analysis on powders prepared under very similar conditions. The surface investigation revealed the formation of an homogeneous coating of the olivine phase on the carbon structures. The electrochemical performance on the composites showed a dramatic improvement of the discharge specific capacity (measured at a discharge rate of C/25 and room temperature) compared to the prepared powders. The delivered values were 105 mAhg-1 for M = Fe, 100 mAhg-1 for M = Co, 70 mAhg-1 for M = Mn and 30 mAhg-1 for M = Ni respectively.

Preparation of V-Doped LiFePO4/C as the Optimized Cathode Material for Lithium Ion Batteries.

PubMed

Sun, Pingping; Zhang, Haiyang; Shen, Kai; Fan, Qi; Xu, Qingyu

2015-04-01

LiFe1-x,Vx,PO4/C composites were synthesized by solid state reaction. The effect of carbon coating and V doping on the performance of LiFePO4 has been systematically investigated by X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), transmission electron microscope (TEM), charge/discharge and cyclic voltammetry (CV) measurement. The results show that carbon coating and proper amount of V incorporation do not significantly change the host crystal structure of LiFePO4, while the electrochemical performance of LiFePO4 can be significantly improved. Particularly, the LiFe0.96V0.04PO4/C exhibits the best performance with a specific discharge capacity of 105.5 mA h/g at 5.0 C, 90.3 mA h/g at 10 C and 66.7 mA h/g at 30 C with stable cycle performance, which is significantly improved compared with the pure LiFePO4/C. The cyclic voltammograms result reveals that V doping could decrease the resistance of LiFePO4/C composite electrode drastically and improve its reversibility.

Structural and dielectric studies of Ce doped BaSnO3 perovskite nanostructures

NASA Astrophysics Data System (ADS)

Angel, S. Lilly; Deepa, K.; Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Undoped and Cerium (Ce) doped BaSnO3(BSO) nanostructures were synthesized by co-precipitation method. The cubic structure and perovskite phase were confirmed by X-ray diffraction (XRD). The crystallite size of BSO is 41nm and when Ce ion concentration is increased, the crystallite sizesdecreased. The nanocube, nanocuboids and nanorods are observed from SEM analysis. The purity of the undoped and doped samples are confirmed by EDS spectrum. For larger defects, wide band gap was obtained from UV-Vis and PL spectrum. The dielectric constants are increased at low frequencies when Ce impurities are introduced in the BSO matrix at Sn site.

Green synthesis of boron doped graphene and its application as high performance anode material in Li ion battery

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

Sahoo, Madhumita; Sreena, K.P.; Vinayan, B.P.

2015-01-15

Graphical abstract: Boron doped graphene (B-G), synthesized by simple hydrogen induced reduction technique using boric acid as boron precursor, have more uneven surface as a result of smaller bonding distance of boron compared to carbon, showed high capacity and high rate capability compared to pristine graphene as an anode material for Li ion battery application. - Abstract: The present work demonstrates a facile route for the large-scale, catalyst free, and green synthesis approach of boron doped graphene (B-G) and its use as high performance anode material for Li ion battery (LIB) application. Boron atoms were doped into graphene framework withmore » an atomic percentage of 5.93% via hydrogen induced thermal reduction technique using graphite oxide and boric acid as precursors. Various characterization techniques were used to confirm the boron doping in graphene sheets. B-G as anode material shows a discharge capacity of 548 mAh g{sup −1} at 100 mA g{sup −1} after 30th cycles. At high current density value of 1 A g{sup −1}, B-G as anode material enhances the specific capacity by about 1.7 times compared to pristine graphene. The present study shows a simplistic way of boron doping in graphene leading to an enhanced Li ion adsorption due to the change in electronic states.« less

Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

NASA Astrophysics Data System (ADS)

Chen, Ming; Zhao, Yu-Jun; Liao, Ji-Hai; Yang, Xiao-Bao

2012-07-01

Using density-functional theory calculations, we investigated the adsorption of transition-metal (TM) atoms (TM = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) on carbon doped hexagonal boron nitride (BN) sheet and the corresponding cage (B12N12). With carbon substitution of nitrogen, Sc, V, Cr, and Mn atoms were energetically favorable to be dispersed on the BN nanostructures without clustering or the formation of TM dimers, due to the strong binding between TM atoms and substrate, which contains the half-filled levels above the valence bands maximum. The carbon doped BN nanostructures with dispersed Sc could store up to five and six H2, respectively, with the average binding energy of 0.3 ˜ 0.4 eV, indicating the possibility of fabricating hydrogen storage media with high capacity. We also demonstrated that the geometrical effect is important for the hydrogen storage, leading to a modulation of the charge distributions of d levels, which dominates the binding between H2 and TM atoms.

Electrical properties of Mg doped ZnO nanostructure annealed at different temperature

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

Mohamed, R., E-mail: ruziana12@gmail.com; Mamat, M. H., E-mail: hafiz-030@yahoo.com; Rusop, M., E-mail: nanouitm@gmail.com

In this work, ZincOxide (ZnO) nanostructures doped with Mg were successfully grown on the glass substrate. Magnesium (Mg) metal element was added in the ZnO host which acts as a doping agent. Different temperature in range of 250°C to 500°C was used in order to investigate the effect of annealing temperature of ZnO thin films. Field Emission Scanning Electron Microscopy (FESEM) was used to investigate the physical characteristic of ZnO thin films. FESEM results have revealed that ZnO nanorods were grown vertically aligned. The structural properties were determined by using X-Ray Diffraction (XRD) analysis. XRD results showed Mg doped ZnOmore » thin have highest crystalinnity at 500°C annealing temperature. The electrical properties were investigating by using Current-Voltage (I-V) measurement. I-V measurement showed the electrical properties were varied at different annealing temperature. The annealing temperature at 500°C has the highest electrical conductance properties.« less

Investigation of Structure and Transport in Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], [EMIM][BF4

NASA Technical Reports Server (NTRS)

Haskins, Justin Bradley; Bennett, William Raymond; Wu, James J.; Hernandez, Dionne M.; Borodin, Oleg; Monk, Joshua D.; Bauschlicher, Charles W., Jr.; Watson, John W.

2014-01-01

Ionic liquid electrolytes have been proposed as a means of improving the safety and cycling behavior of advanced lithium batteries; however, the properties of these electrolytes under high lithium doping are poorly understood. Here, we employ both polarizable molecular dynamics simulation and experiment to investigate the structure, thermodynamics and transport of three potential electrolytes, N-methyl-N-butylpyrrolidinium bis(trifluoromethylsufonyl)imide ([pyr14][TFSI]), N- methyl-N-propylpyrrolidinium bis(fluorosufonyl)imide ([pyr13][FSI]), and 1-ethyl-3-- methylimidazolium boron tetrafluoride ([EMIM][BF4]), as a function of Li (-) salt concentration and temperature. Structurally, Li(+) is shown to be solvated by three anion neighbors in [pyr14][TFSI] and four anion neighbors in both [pyr13][FSI] and [EMIM][BF4], and at all levels of xLi we find the presence of lithium aggregates. Furthermore, the computed density, diffusion, viscosity, and ionic conductivity show excellent agreement with experimental data. While the diffusion and viscosity exhibit a systematic decrease and increase, respectively, with increasing xLi, the contribution of Li(+) to ionic conductivity increases until reaching a saturation doping level of xLi 0.10. Comparatively, the Li(+) conductivity of [pyr14][TFSI] is an order of magnitude lower than that of the other liquids, which range between 0.1-0.3 mScm. The differences in Li(+) transport are reflected in the residence times of Li(+) with the anions, which are revealed to be much larger for [pyr14][TFSI] (up to 100 ns at the highest doping levels) than in either [EMIM][BF4] or [pyr13][FSI]. Finally, we comment on the relative kinetics of Li(+) transport in each liquid and we present strong evidence for transport through anion exchange (hopping) as opposed to the net motion of Li(+) with its solvation shell (vehicular).

PAC characterization of Gd and Y doped nanostructured zirconia solid solutions

NASA Astrophysics Data System (ADS)

Caracoche, María C.; Martínez, Jorge A.; Pasquevich, Alberto F.; Rivas, Patricia C.; Djurado, Elizabeth; Boulc'h, Florence

2007-02-01

A perturbed angular correlation (PAC) study as a function of temperature has been carried out on spray pyrolysis-derived powders and compacts of 2.5 mol% Y 2O 3-ZrO 2 and 2 mol% Gd 2O 3-ZrO 2 nanostructured tetragonal zirconias. The powders undergo the ordinary thermal transformation between the two known defective t‧- and regular t-tetragonal forms and also a partial and irreversible change to an ordered cubic configuration. The dynamical nature of the t‧-form leads to an activation energy of about 0.15 eV for the oxygen vacancies movement. The as-obtained compacts do not exhibit any known cubic nanostructure but some additional contributions. In both of them a hyperfine component assigned to the orthorhombic phase is determined. In the smaller cation Y doped ceramic a small amount of monoclinic phase reflects an incomplete stabilization.

Review on recent progress of nanostructured anode materials for Li-ion batteries

NASA Astrophysics Data System (ADS)

Goriparti, Subrahmanyam; Miele, Ermanno; De Angelis, Francesco; Di Fabrizio, Enzo; Proietti Zaccaria, Remo; Capiglia, Claudio

2014-07-01

This review highlights the recent research advances in active nanostructured anode materials for the next generation of Li-ion batteries (LIBs). In fact, in order to address both energy and power demands of secondary LIBs for future energy storage applications, it is required the development of innovative kinds of electrodes. Nanostructured materials based on carbon, metal/semiconductor, metal oxides and metal phosphides/nitrides/sulfides show a variety of admirable properties for LIBs applications such as high surface area, low diffusion distance, high electrical and ionic conductivity. Therefore, nanosized active materials are extremely promising for bridging the gap towards the realization of the next generation of LIBs with high reversible capacities, increased power capability, long cycling stability and free from safety concerns. In this review, anode materials are classified, depending on their electrochemical reaction with lithium, into three groups: intercalation/de-intercalation, alloy/de-alloy and conversion materials. Furthermore, the effect of nanoscale size and morphology on the electrochemical performance is presented. Synthesis of the nanostructures, lithium battery performance and electrode reaction mechanisms are also discussed. To conclude, the main aim of this review is to provide an organic outline of the wide range of recent research progresses and perspectives on nanosized active anode materials for future LIBs.

Doping Li and K into Na2ZrO3 Sorbent to Improve Its CO2 Capture Capability

NASA Astrophysics Data System (ADS)

Duan, Yuhua

Carbon dioxide is one of the major combustion products which once released into the air can contribute to global climate change. Solid sorbents have been reported in several previous studies to be promising candidates for CO2 sorbent applications due to their high CO2 absorption capacities at moderate working temperatures. However, at a given CO2 pressure, the turnover temperature (Tt) of an individual solid capture CO2 reaction is fixed and may be outside the operating temperature range (ΔTo) for a particularly capture technology. In order to shift such Tt for a solid into the range of ΔTo, its corresponding thermodynamic property must be changed by changing its structure by reacting (mixing) with other materials or doping with other elements. As an example, by combining thermodynamic database searching with ab initio thermodynamics calculations, in this work, we explored the Li- and K-doping effects on the Tt shifts of Na2ZrO3 at different doping levels. The obtained results showed that compared to pure Na2ZrO3, the Li- and K-doped mixtures Na2-αMαZrO3 (M =Li, K) have lower Tt and higher CO2 capture capacities.

Photocatalytic activity of Li-doped TiO{sub 2} nanoparticles: Synthesis via ionic liquid-assisted hydrothermal route

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

Ravishankar, T.N.; Nagaraju, G., E-mail: nagarajugn@rediffmail.com; Department of Chemistry, Siddaganga Institute of Technology, Tumkur, Karnataka

Highlights: • TiO{sub 2}: Li nanoparticles were synthesized via an ionic liquid-assisted hydrothermal method. • The doping of Li to anatase TiO{sub 2} affects the properties of the resultant product. • TiO{sub 2}: Li nanoparticles were used as a photocatalyst for the degradation of dye. • TiO{sub 2}: Li nanoparticles were used as sensor, and antibacterial agent. • TiO{sub 2}: Li were used as reducing agent for the reduction of Cr{sup 6+} to Cr{sup 3+}. - Abstract: We have proposed a simple one pot synthesis of lithium-doped TiO{sub 2} nanoparticles (TiO{sub 2}:Li) via an ionic liquid-assisted hydrothermal method and theirmore » potential use as a photocatalyst for the degradation of organic dye, as well as the reduction of toxic Cr{sup 6+} to non toxic Cr{sup 3+}. The structure of TiO{sub 2}:Li nanoparticles was examined by XRD, FTIR, XPS, Raman, UV–vis, Photoluminescence spectroscopy and morphology by SEM and TEM. The incorporation of Li into anatase-phase TiO{sub 2} affected the optical properties of the resultant TiO{sub 2} nanoparticles. The photocatalytic activity of the TiO{sub 2}:Li nanoparticles was determined by degradation of trypan blue. Degradation studies showed improved photocatalytic activity of TiO{sub 2}:Li nanoparticles compared to TiO{sub 2} nanoparticles and bulk TiO{sub 2}. TiO{sub 2}:Li nanoparticles also functioned as a detoxification agent which was confirmed by the reduction of Cr{sup 6+} to Cr{sup 3+}.« less

Nanostructured metal carbides for aprotic Li-O 2 batteries. New insights into interfacial reactions and cathode stability

DOE PAGES

Kundu, Dipan; Black, Robert; Adams, Brian; ...

2015-05-01

The development of nonaqueous Li–oxygen batteries, which relies on the reversible reaction of Li + O 2 to give lithium peroxide (Li 2O 2), is challenged by several factors, not the least being the high charging voltage that results when carbon is typically employed as the cathode host. We report here on the remarkably low 3.2 V potential for Li 2O 2 oxidation on a passivated nanostructured metallic carbide (Mo 2C), carbon-free cathode host. Furthermore, online mass spectrometry coupled with X-ray photoelectron spectroscopy unequivocally demonstrates that lithium peroxide is simultaneously oxidized together with the Li xMoO 3-passivated conductive interface formedmore » on the carbide, owing to their close redox potentials. We found that the process rejuvenates the surface on each cycle upon electrochemical charge by releasing Li xMoO 3 into the electrolyte, explaining the low charging potential.« less

Nanotechnology in Li-ion Batteries

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

Mukaibo, Hitomi

2010-06-04

This is the second of three talks on nanostructures for li-ion batteries. The talks provide an up-to-date review of the issues and challenges facing Li-ion battery research with special focus on how nanostructures/ nanotechnology are being applied to this field. Novel materials reported as prospective candidates for anode, cathode and electrolyte will be summarized. The expected role of nanostructures in improving the performance of Li-ion batteries and the actual pros and cons of using such structures in this device will be addressed. Electrochemical experiments used to study Li-ion batteries will also be discussed. This includes the introduction to the standardmore » experimental set-up and how experimental data (from charge-discharge experiments, cyclic voltammetry, impedance spectroscopy, etc) are interpreted.« less

Improved electron transfer and plasmonic effect in dye-sensitized solar cells with bi-functional Nb-doped TiO2/Ag ternary nanostructures.

PubMed

Park, Jung Tae; Chi, Won Seok; Jeon, Harim; Kim, Jong Hak

2014-03-07

TiO2 nanoparticles are surface-modified via atom transfer radical polymerization (ATRP) with a hydrophilic poly(oxyethylene)methacrylate (POEM), which can coordinate to the Ag precursor, i.e. silver trifluoromethanesulfonate (AgCF3SO3). Following the reduction of Ag ions, a Nb2O5 doping process and calcination at 450 °C, bi-functional Nb-doped TiO2/Ag ternary nanostructures are generated. The resulting nanostructures are characterized by energy-filtering transmission electron microscopy (EF-TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and UV-visible spectroscopy. The dye-sensitized solar cell (DSSC) based on the Nb-doped TiO2/Ag nanostructure photoanode with a polymerized ionic liquid (PIL) as the solid polymer electrolyte shows an overall energy conversion efficiency (η) of 6.9%, which is much higher than those of neat TiO2 (4.7%) and Nb-doped TiO2 (5.4%). The enhancement of η is mostly due to the increase of current density, attributed to the improved electron transfer properties including electron injection, collection, and plasmonic effects without the negative effects of charge recombination or problems with corrosion. These properties are supported by intensity modulated photocurrent/voltage spectroscopy (IMPS/IMVS) and incident photon-to-electron conversion efficiency (IPCE) measurements.

Insights into stability, electronic properties, defect properties and Li ions migration of Na, Mg and Al-doped LiVPO4F for cathode materials of lithium ion batteries: A first-principles investigation

NASA Astrophysics Data System (ADS)

Lv, Xiaojun; Xu, Zhenming; Li, Jie; Chen, Jiangan; Liu, Qingsheng

2016-07-01

The effects of Na, Mg and Al doping on the structure, electronic property, defect property and Li ions migration of LiVPO4F were investigated by the first-principles method. Calculations show that the processes of forming Li0.875Na0.125VPO4F, α- and β-LiMg0.375V0.75PO4F, α- and β-LiAl0.125V0.875PO4F are all feasible. Na, Mg and Al doping significantly improve the electrical conductivity of LiVPO4F and simultaneously maintain their structural stability attributing to the reduction of band gaps through variations of V-3d spin up orbitals. Li vacancy defects of LiVPO4F are not ignorable, and vacancy defects with a lower activation energy for Li atom are far more likely to occur than Frenkel defects for Li and vacancy defects for other atoms. For pristine LiVPO4F, path D along [0.012 0 . 17 ̅ 0.572] direction is found to have the lowest activation energy of 0.418 eV, suggesting that anisotropic nature of Li ion conduction and LiVPO4F is a one-dimensional (1D)-ion conductor. The corresponding diffusion coefficient was estimated to be 2.82×10-9 cm2/s, which is in good agreement with those experimental values.

Investigation of Structure and Transport in Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI] and [EMIM][BF4

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Bennett, William R.; Hernandez-Lugo, Dione M.; Wu, James; Borodin, Oleg; Monk, Joshua D.; Bauschlicher, Charles W.; Lawson, John W.

2014-01-01

Ionic liquid electrolytes have been proposed as a means of improving the safety and cycling behavior of advanced lithium batteries; however, the properties of these electrolytes under high lithium doping are poorly understood. Here, we employ both polarizable molecular dynamics simulation and experiment to investigate the structure, thermodynamics and transport of three potential electrolytes, N-methyl-Nbutylpyrrolidinium bis(trifluoromethylsufonyl)imide ([pyr14][TFSI]), N- methyl-Npropylpyrrolidinium bis(fluorosufonyl)imide ([pyr13][FSI]), and 1-ethyl-3-- methylimidazolium boron tetrafluoride ([EMIM][BF4]), as a function of Li-salt concentration and temperature. Structurally, Li(+) is shown to be solvated by three anion neighbors in [pyr14][TFSI] and four anion neighbors in both [pyr13][FSI] and [EMIM][BF4], and at all levels of x(sub Li) we find the presence of lithium aggregates. Furthermore, the computed density, diffusion, viscosity, and ionic conductivity show excellent agreement with experimental data. While the diffusion and viscosity exhibit a systematic decrease and increase, respectively, with increasing x(sub Li), the contribution of Li(+) to ionic conductivity increases until reaching a saturation doping level of x(sub Li) is approximately 0.10. Comparatively, the Li(+) conductivity of [pyr14][TFSI] is an order of magnitude lower than that of the other liquids, which range between 0.1 - 0.3 mS/cm. The differences in Li(+) transport are reflected in the residence times of Li(+) with the anions, which are revealed to be much larger for [pyr14][TFSI] (up to 100 ns at the highest doping levels) than in either [EMIM][BF4] or [pyr13][FSI]. Finally, we comment on the relative kinetics of Li(+) transport in each liquid and we present strong evidence for transport through anion exchange (hopping) as opposed to the net motion of Li(+) with its solvation shell (vehicular).

Direct Observation of Lattice Aluminum Environments in Li Ion Cathodes LiNi1-y-zCoyAlzO2 and Al-Doped LiNixMnyCozO2 via (27)Al MAS NMR Spectroscopy.

PubMed

Dogan, Fulya; Vaughey, John T; Iddir, Hakim; Key, Baris

2016-07-06

Direct observations of local lattice aluminum environments have been a major challenge for aluminum-bearing Li ion battery materials, such as LiNi1-y-zCoyAlzO2 (NCA) and aluminum-doped LiNixMnyCozO2 (NMC). (27)Al magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy is the only structural probe currently available that can qualitatively and quantitatively characterize lattice and nonlattice (i.e., surface, coatings, segregation, secondary phase etc.) aluminum coordination and provide information that helps discern its effect in the lattice. In the present study, we use NMR to gain new insights into transition metal (TM)-O-Al coordination and evolution of lattice aluminum sites upon cycling. With the aid of first-principles DFT calculations, we show direct evidence of lattice Al sites, nonpreferential Ni/Co-O-Al ordering in NCA, and the lack of bulk lattice aluminum in aluminum-"doped" NMC. Aluminum coordination of the paramagnetic (lattice) and diamagnetic (nonlattice) nature is investigated for Al-doped NMC and NCA. For the latter, the evolution of the lattice site(s) upon cycling is also studied. A clear reordering of lattice aluminum environments due to nickel migration is observed in NCA upon extended cycling.

Growth and scintillation properties of Eu doped BaCl2/LiF eutectic scintillator

NASA Astrophysics Data System (ADS)

Kamada, Kei; Hishinuma, Kosuke; Kurosawa, Shunsuke; Yamaji, Akihiro; Shoji, Yasuhiro; Pejchal, Jan; Yokota, Yuui; Ohashi, Yuji; Yoshikawa, Akira

2015-12-01

Eu doped BaCl2/LiF eutectics were grown by the micro-pulling down method and their directionally solidified eutectic (DSE) system has been investigated. The grown eutectic showed main phases of cubic LiF and orthorhombic BaCl2. In these eutectics, the 399 nm emission of Eu2+ 4f5d was obtained. It shows the intrinsic decay time of about 410 ns. The light yield of the 1-mm-thick eutectic showed 7000 ph/5.5 MeV alpha-ray.

Glass transition temperature and conductivity in Li2O and Na2O doped borophosphate glasses

NASA Astrophysics Data System (ADS)

Ashwajeet, J. S.; Sankarappa, T.; Ramanna, R.; Sujatha, T.; Awasthi, A. M.

2015-08-01

Two alkali doped Borophosphate glasses in the composition, (B2O3)0.2. (P2O5)0.3. (Na2O)(0.5-x). (Li2O)x, where x = 0.05 to 0.50 were prepared by standard melt quenching method at 1200K. Non-crystalline nature was confirmed by XRD studies. Room temperature density was measured by Archimedes principle. DC conductivity in the temperature range from 300K to 575K has been measured. Samples were DSC studied in the temperature range from 423K to 673K and glass transition temperature was determined. Glass transition temperature passed through minima for Li2O con.2centration between 0.25 and 0.30 mole fractions. Activation energy of conduction has been determined by analyzing temperature variation of conductivity determining Arrhenius law. Conductivity passed through minimum and activation passed through maximum for Li2O content from 0.25 to 0.30 mole fractions. Glass transition temperature passed through minimum for the same range of Li2O content. These results revealed mixed alkali effect taking place in these glasses. It is for the first time borophosphate glasses doped with Li2O and Na2O have been studied for density and dc conductivity and, the mixed alkali effect (MAE) has been observed.

Electrodeposition of polymer electrolyte in nanostructured electrodes for enhanced electrochemical performance of thin-film Li-ion microbatteries

NASA Astrophysics Data System (ADS)

Salian, Girish D.; Lebouin, Chrystelle; Demoulin, A.; Lepihin, M. S.; Maria, S.; Galeyeva, A. K.; Kurbatov, A. P.; Djenizian, Thierry

2017-02-01

We report that electrodeposition of polymer electrolyte in nanostructured electrodes has a strong influence on the electrochemical properties of thin-film Li-ion microbatteries. Electropolymerization of PMMA-PEG (polymethyl methacrylate-polyethylene glycol) was carried out on both the anode (self-supported titania nanotubes) and the cathode (porous LiNi0.5Mn1.5O4) by cyclic voltammetry and the resulting electrode-electrolyte interface was examined by scanning electron microscopy. The electrochemical characterizations performed by galvanostatic experiments reveal that the capacity values obtained at different C-rates are doubled when the electrodes are completely filled by the polymer electrolyte.

Structure and Stoichiometry in Supervalent Doped Li 7La 3 Zr 2O 12

DOE PAGES

Mukhopadhyay, Saikat; Thompson, Travis; Sakamoto, Jeff; ...

2015-04-20

The oxide garnet material Li 7La 3 Zr 2O 12 shows remarkably high ionic conductivity when doped with supervalent ions that are charge compensated by Li vacancies and is currently one of the best candidates for development of a technologically relevant solid electrolyte. Determination of optimal dopant concentration, however, has remained a persistent problem due to the extreme difficulty of establishing the actual (as compared to nominal) stoichiometry of intentionally doped materials and by the fact that it is still not entirely clear what level of lattice expansion/contraction best promotes. ionic diffusion. By combining careful synthesis, neutron diffraction, high-resolution X-raymore » diffraction (XRD), Raman measurements, and density functional theory calculations, we show that structure and stoichiometry are intimately related such that the former can in many cases be used as a gauge of the latter. We show that different Li-vacancy creating supervalent ions (Al 3+ vs Ta 5+) affect the structure very differently, both in terms of the lattice constant, which is easily measurable, and hi terms of the local structure, which can be difficult or impossible to access experimentally but may have important ramifications for conduction. We carefully correlate the lattice constant to dopant type/concentration via Vegard's law and then further correlate these quantities to relevant local structural parameters. In conclusion, our work opens the possibility of developing a codopant scheme that optimizes the Li vacancy concentration and the lattice size simultaneously.« less

Effect of Li and NH4 doping on the crystal perfection, second harmonic generation efficiency and laser damage threshold of potassium pentaborate crystals

NASA Astrophysics Data System (ADS)

Vigneshwaran, A. N.; Kalainathan, S.; Raja, C. Ramachandra

2018-03-01

Potassium pentaborate (KB5) is an excellent nonlinear optical material especially in the UV region. In this work, Li and NH4 doped KB5 crystals were grown using slow evaporation solution growth method. The incorporation of dopant has been confirmed and analysed by Energy dispersive X-ray analysis (EDAX), Inductively coupled plasma (ICP) analysis and Raman spectroscopy. The crystalline perfection of pure and doped KB5 crystals was studied by High resolution X-ray diffraction (HRXRD) analysis. Structural grain boundaries were observed in doped crystals. Second harmonic generation was confirmed for pure and doped crystals and output values revealed the enhancement of SHG efficiency in doped crystals. Resistance against laser damage was carried out using 1064 nm Nd-YAG laser of pulse width 10 ns. The laser damage threshold value is increased in Li doped crystal and decreased in NH4 doped crystal when compared to pure KB5 crystal.

DFT STUDY OF HYDROGEN STORAGE ON Li- AND Na-DOPED C59B HETEROFULLERENE

NASA Astrophysics Data System (ADS)

Zahedi, Ehsan; Mozaffari, Majid

2014-05-01

Effect of light alkali metal (Li and Na) decorated on the C59B heterofullerene for hydrogen storage is considered using DFT-MPW1PW91 method. Results show that Li and Na atoms strongly prefer to adsorb on top of five-member and six-member ring where a carbon atom is replaced by a boron atom. Significant charge transfer from the alkali metal to the C59B compensates for the electron deficiency of C59B and makes the latter aromatic in nature. Corrected binding energies of hydrogen molecule on the alkali-doped C59B using counterpoise method, structural properties and NBO analysis indicate that first hydrogen molecule is adsorbed physically and does not support minimal conditions of DOE requirement. Finally, positive values of binding energies for the adsorption of a second hydrogen molecule show that alkali doped C59B are capable of storing a maximum of one hydrogen molecule.

Nanostructures having high performance thermoelectric properties

DOEpatents

Yang, Peidong; Majumdar, Arunava; Hochbaum, Allon I.; Chen, Renkun; Delgado, Raul Diaz

2015-12-22

The invention provides for a nanostructure, or an array of such nanostructures, each comprising a rough surface, and a doped or undoped semiconductor. The nanostructure is an one-dimensional (1-D) nanostructure, such a nanowire, or a two-dimensional (2-D) nanostructure. The nanostructure can be placed between two electrodes and used for thermoelectric power generation or thermoelectric cooling.

Nanostructures having high performance thermoelectric properties

DOEpatents

Yang, Peidong; Majumdar, Arunava; Hochbaum, Allon I; Chen, Renkun; Delgado, Raul Diaz

2014-05-20

The invention provides for a nanostructure, or an array of such nanostructures, each comprising a rough surface, and a doped or undoped semiconductor. The nanostructure is an one-dimensional (1-D) nanostructure, such a nanowire, or a two-dimensional (2-D) nanostructure. The nanostructure can be placed between two electrodes and used for thermoelectric power generation or thermoelectric cooling.

Sequential entrapping of Li and S in a conductivity cage of N-doped reduced graphene oxide supercapacitor derived from silk cocoon: a hybrid Li-S-silk supercapacitor

NASA Astrophysics Data System (ADS)

Jangir, Himanshi; Pandey, Mohit; Jha, Rishabh; Dubey, Amarish; Verma, Shourya; Philip, Deepu; Sarkar, Sabyasachi; Das, Mainak

2018-02-01

Li and S compounds are currently exploited for their applications in battery industry. Here, we discovered that Li-S compounds exhibit supercapacitor like properties in a context-dependent manner viz., when Li and S atoms are entrapped in a conductivity cage of N-doped reduced graphene oxide (ND-RGO) supercapacitor derived from silk cocoon, it resulted in the formation of a superior hybrid Li-S-silk (ND-RGO-Li-S) supercapacitor. Interestingly, ND-RGO-Li-S proves to be a better supercapacitor than ND-RGO alone. Electrochemical properties of ND-RGO versus ND-RGO-Li-S indicated that the later has higher capacitance ( 10.72%), lower resistance ( 2.98%), and higher time constant or relaxation time ( 7.52%). Thus, in one of the first attempts, caging Li and S in ND-RGO supercapacitor matrix offers a new role for Li-S, as an improved supercapacitor, unlike its current application as a battery.

LiFePO4 Nanostructures Fabricated from Iron(III) Phosphate (FePO4 x 2H2O) by Hydrothermal Method.

PubMed

Saji, Viswanathan S; Song, Hyun-Kon

2015-01-01

Electrode materials having nanometer scale dimensions are expected to have property enhancements due to enhanced surface area and mass/charge transport kinetics. This is particularly relevant to intrinsically low electronically conductive materials such as lithium iron phosphate (LiFePO4), which is of recent research interest as a high performance intercalation electrode material for Li-ion batteries. Many of the reported works on LiFePO4 synthesis are unattractive either due to the high cost of raw materials or due to the complex synthesis technique. In this direction, synthesis of LiFePO4 directly from inexpensive FePO4 shows promise.The present study reports LiFePO4 nanostructures prepared from iron (III) phosphate (FePO4 x 2H2O) by precipitation-hydrothermal method. The sintered powder was characterized by X-ray diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), Inductive coupled plasma-optical emission spectroscopy (ICP-OES), and Electron microscopy (SEM and TEM). Two synthesis methods, viz. bulk synthesis and anodized aluminum oxide (AAO) template-assisted synthesis are reported. By bulk synthesis, micro-sized particles having peculiar surface nanostructuring were formed at precipitation pH of 6.0 to 7.5 whereas typical nanosized LiFePO4 resulted at pH ≥ 8.0. An in-situ precipitation strategy inside the pores of AAO utilizing the spin coating was utilized for the AAO-template-assisted synthesis. The template with pores filled with the precipitate was subsequently subjected to hydrothermal process and high temperature sintering to fabricate compact rod-like structures.

Electrode Nanostructures in Lithium-Based Batteries.

PubMed

Mahmood, Nasir; Hou, Yanglong

2014-12-01

Lithium-based batteries possessing energy densities much higher than those of the conventional batteries belong to the most promising class of future energy devices. However, there are some fundamental issues related to their electrodes which are big roadblocks in their applications to electric vehicles (EVs). Nanochemistry has advantageous roles to overcome these problems by defining new nanostructures of electrode materials. This review article will highlight the challenges associated with these chemistries both to bring high performance and longevity upon considering the working principles of the various types of lithium-based (Li-ion, Li-air and Li-S) batteries. Further, the review discusses the advantages and challenges of nanomaterials in nanostructured electrodes of lithium-based batteries, concerns with lithium metal anode and the recent advancement in electrode nanostructures.

Peapod-like Li3 VO4 /N-Doped Carbon Nanowires with Pseudocapacitive Properties as Advanced Materials for High-Energy Lithium-Ion Capacitors.

PubMed

Shen, Laifa; Lv, Haifeng; Chen, Shuangqiang; Kopold, Peter; van Aken, Peter A; Wu, Xiaojun; Maier, Joachim; Yu, Yan

2017-07-01

Lithium ion capacitors are new energy storage devices combining the complementary features of both electric double-layer capacitors and lithium ion batteries. A key limitation to this technology is the kinetic imbalance between the Faradaic insertion electrode and capacitive electrode. Here, we demonstrate that the Li 3 VO 4 with low Li-ion insertion voltage and fast kinetics can be favorably used for lithium ion capacitors. N-doped carbon-encapsulated Li 3 VO 4 nanowires are synthesized through a morphology-inheritance route, displaying a low insertion voltage between 0.2 and 1.0 V, a high reversible capacity of ≈400 mAh g -1 at 0.1 A g -1 , excellent rate capability, and long-term cycling stability. Benefiting from the small nanoparticles, low energy diffusion barrier and highly localized charge-transfer, the Li 3 VO 4 /N-doped carbon nanowires exhibit a high-rate pseudocapacitive behavior. A lithium ion capacitor device based on these Li 3 VO 4 /N-doped carbon nanowires delivers a high energy density of 136.4 Wh kg -1 at a power density of 532 W kg -1 , revealing the potential for application in high-performance and long life energy storage devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterization and analysis of thermoelectric transport using SPB model in nanostructured aluminum doped zinc tellurium

NASA Astrophysics Data System (ADS)

Bhaskar, Ankam; Pai, Yi-Hsuan; Liu, Chia-Jyi

2017-11-01

Low-temperature electronic and thermal transport measurements are carried out on nanostructured Zn1-x Al x Te (0  ⩽  x  ⩽  0.15) fabricated using hydrothermal synthesis followed by evacuated-and-encapsulated sintering. A single parabolic band with acoustic phonon scattering is used to analyze thermoelectric transport data. It is found that reduced Fermi energy gets closer to the valence band edge and density of states effective mass, effective density of states, and Hall factor decrease with increasing x in doped samples. The chemical carrier concentration, carrier density independent mobility, β, and theoretical zT values increase with increasing x in doped samples. The nanostructured Zn1-x Al x Te exhibits significant reduction of thermal conductivity at 300 K (1.82-3.71 W m-1 K-1) as compared to bulk ZnTe (18 W m-1 K-1). The point-defect scattering and phonon-grain scattering play an important role in reducing the lattice thermal conductivity. In addition, partial substitution of Al3+ for Zn2+ significantly improves both the power factor and zT values.

Enhanced Emission from Li2CaSiO4:Dy3+ Phosphors by Doping with Al3+ and B3+

NASA Astrophysics Data System (ADS)

Erdoğmuş, E.

2016-05-01

Pure Li2CaSiO4, Li2CaSiO4:Dy3+ and Al3+, B3+ co-doped materials were prepared by a solid-state reaction in air at 900°C for 6 h and characterized by using powder XRD. The luminescence properties of the synthesized phosphors were measured at room temperature with a spectrofluorometer. Li2CaSiO4:Dy3+ emits at 484, 575, and 660 nm upon 352 nm excitation. The emission spectrum intensity of Dy3+ increased from 0.01 to 0.06 mol.%, and beyond 0.06 mol.%, concentration quenching was observed. Also, in this study, the effects of boric acid and aluminum oxide concentration on the photoluminescence properties of Dy3+ doped phosphors were investigated. The results showed that boric acid and aluminum oxide were effective in improving the photoluminescence intensity of Li2CaSiO4:Dy3+ compounds.

Voltammetric Sensor Based on Fe-doped ZnO and TiO2 Nanostructures-modified Carbon-paste Electrode for Determination of Levodopa

NASA Astrophysics Data System (ADS)

Anaraki Firooz, Azam; Hosseini Nia, Bahram; Beheshtian, Javad; Ghalkhani, Masoumeh

2017-10-01

In this study, undoped and 1 wt.% Fe-doped with ZnO, and TiO2 nanostructures were synthesized by a simple hydrothermal method without using templates. The influence of the Fe dopant on structural, optical and electrochemical response was studied by x-ray diffraction, scanning electron microscopy, UV-Vis spectra, photoluminescence spectra and electrochemical characterization system. The electrochemical response of the carbon paste electrode modified with synthesized nanostructures (undoped ZnO and TiO2 as well as doped with Fe ions) toward levodopa (L-Dopa) was studied. Cyclic voltammetry using provided modified electrodes showed electro-catalytic properties for electro-oxidation of L-Dopa and a significant reduction was observed in the anodic overvoltage compared to the bare electrode. The results indicated the presence of the sufficient dopants. The best response was obtained in terms of the current enhancement, overvoltage reduction, and reversibility improvement of the L-Dopa oxidation reaction under experimental conditions by the modified electrode with TiO2 nanoparticles doped with Fe ions.

High-rate and ultralong cycle-life LiFePO4 nanocrystals coated by boron-doped carbon as positive electrode for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Feng, Jinpeng; Wang, Youlan

2016-12-01

An evolutionary modification approach, boron-doped carbon coating, has been used to improve the electrochemical performances of positive electrodes for lithium-ion batteries, and demonstrates apparent and significant modification effects. In this study, the boron-doped carbon coating is firstly adopted and used to decorate the performance of LiFePO4. The obtained composite exhibits a unique core-shell structure with an average diameter of 140 nm and a 4 nm thick boron-doped carbon shell that uniformly encapsulates the core. Owing to the boron element which could induce high amount of defects in the carbon, the electronic conductivity of LiFePO4 is greatly ameliorated. Thus, the boron-doped composite shows superior rate capability and cycle stability than the undoped sample. For instance, the reversible specific capacity of LiFePO4@B0.4-C can reach 164.1 mAh g-1 at 0.1C, which is approximately 96.5% of the theoretical capacity (170 mAh g-1). Even at high rate of 10C, it still shows a high specific capacity of 126.8 mAh g-1 and can be maintained at 124.5 mAh g-1 after 100 cycles with capacity retention ratio of about 98.2%. This outstanding Li-storage property enable the present design strategy to open up the possibility of fabricating the LiFePO4@B-C composite for high-performance lithium-ion batteries.

Electrical and photocatalytic properties of boron-doped ZnO nanostructure grown on PET-ITO flexible substrates by hydrothermal method

NASA Astrophysics Data System (ADS)

Wang, Wei; Ai, Taotao; Yu, Qi

2017-02-01

Boron-doped zinc oxide sheet-spheres were synthesized on PET-ITO flexible substrates using a hydrothermal method at 90 °C for 5 h. The results of X-ray diffraction and X-ray photoelectron spectroscopy indicated that the B atoms were successfully doped into the ZnO lattice, the incorporation of B led to an increase in the lattice constant of ZnO and a change in its internal stress. The growth mechanism of pure ZnO nanorods and B-doped ZnO sheet-spheres was specifically investigated. The as-prepared BZO/PET-ITO heterojunction possessed obvious rectification properties and its positive turn-on voltage was 0.4 V. The carrier transport mechanisms involved three models such as hot carrier tunneling theory, tunneling recombination, and series-resistance effect were explored. The BZO/PET-ITO nanostructures were more effective than pure ZnO to degrade the RY 15, and the degradation rate reached 41.45%. The decomposition process with BZO nanostructure followed first-order reaction kinetics. The photocurrent and electrochemical impedance spectroscopy revealed that the B-doping could promote the separation of photo-generated electron-hole pairs, which was beneficial to enhance the photocatalytic activity. The photocurrent density of B-doped and pure ZnO/PET-ITO were 0.055 mA/cm2 and 0.016 mA/cm2, respectively. The photocatalytic mechanism of the sample was analyzed by the energy band theory.

Directionally solidified Eu doped CaF2/Li3AlF6 eutectic scintillator for neutron detection

NASA Astrophysics Data System (ADS)

Kamada, Kei; Hishinuma, Kousuke; Kurosawa, Shunsuke; Shoji, Yasuhiro; Pejchal, Jan; Ohashi, Yuji; Yokota, Yuui; Yoshikawa, Akira

2015-12-01

Eu doped CaF2/Li3AlF6 eutectics were grown by μ-PD method. The directionally solidified eutectic with well-aligned 600 nm diameter Eu:CaF2 scintillator fibers surrounded with Li3AlF6 was prepared. The grown eutectics showed an emission peak at 422 nm ascribed to Eu2+ 4f-5d transition from Eu:CaF2 scintillation fiber. Li concentration in the Eu:CaF2-Li3AlF6 eutectic is around 0.038 mol/cm3,which is two times higher than that of LiCaAlF6 single crystal (0.016 mol/cm3). The light yield of Eu:CaF2-Li3AlF6 eutectic was around 7000 ph/neutron. The decay time was about 550 ns (89%) and 1450 ns (11%).

Scalable Synthesis of Defect Abundant Si Nanorods for High-Performance Li-Ion Battery Anodes.

PubMed

Wang, Jing; Meng, Xiangcai; Fan, Xiulin; Zhang, Wenbo; Zhang, Hongyong; Wang, Chunsheng

2015-06-23

Microsized nanostructured silicon-carbon composite is a promising anode material for high energy Li-ion batteries. However, large-scale synthesis of high-performance nano-Si materials at a low cost still remains a significant challenge. We report a scalable low cost method to synthesize Al/Na-doped and defect-abundant Si nanorods that have excellent electrochemical performance with high first-cycle Coulombic efficiency (90%). The unique Si nanorods are synthesized by acid etching the refined and rapidly solidified eutectic Al-Si ingot. To maintain the high electronic conductivity, a thin layer of carbon is then coated on the Si nanorods by carbonization of self-polymerized polydopamine (PDA) at 800 °C. The carbon coated Si nanorods (Si@C) electrode at 0.9 mg cm(-2) loading (corresponding to area-specific-capacity of ∼2.0 mAh cm(-2)) exhibits a reversible capacity of ∼2200 mAh g(-1) at 100 mA g(-1) current, and maintains ∼700 mAh g(-1) over 1000 cycles at 1000 mA g(-1) with a capacity decay rate of 0.02% per cycle. High Coulombic efficiencies of 87% in the first cycle and ∼99.7% after 5 cycles are achieved due to the formation of an artificial Al2O3 solid electrolyte interphase (SEI) on the Si surface, and the low surface area (31 m(2) g(-1)), which has never been reported before for nano-Si anodes. The excellent electrochemical performance results from the massive defects (twins, stacking faults, dislocations) and Al/Na doping in Si nanorods induced by rapid solidification and Na salt modifications; this greatly enhances the robustness of Si from the volume changes and alleviates the mechanical stress/strain of the Si nanorods during the lithium insertion/extraction process. Introducing massive defects and Al/Na doping in eutectic Si nanorods for Li-ion battery anodes is unexplored territory. We venture this uncharted territory to commercialize this nanostructured Si anode for the next generation of Li-ion batteries.

Light-induced absorption and its relaxation under illumination of continuous wave ultraviolet light in Mn-doped near-stoichiometric LiNbO{sub 3}

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

Liu Youwen; Kitamura, Kenji; Takekawa, Shunji

2005-04-01

The steady-state light-induced absorption and the temporal relaxation behavior under illumination of cw ultraviolet light in Mn-doped near-stoichiometric LiNbO{sub 3} with different crystal compositions are investigated. The ultraviolet-light-induced absorption has been assigned to small polarons Nb{sub Li}{sup 4+} by measuring the absorption spectra at room temperature. The dependences of relaxation behaviors (time constant and stretching factor) of light-induced absorption on various illumination conditions (intensity, polarization) and temperature are presented, which are very different from those observed in Fe-doped LiNbO{sub 3} illuminated with highly intense light pulse, though the temporal relaxation follows the same stretched-exponential decay behavior in both cases. Themore » results are explained reasonably by using the model of distance-dependent electron transition probabilities between localized deep traps and small polarons without any additional assumptions, and discussed to tailor doped near-stoichiometric LiNbO{sub 3} crystals for two-color holographic recording with cw laser light.« less

Electrically conductive nanostructured silver doped zinc oxide (Ag:ZnO) prepared by solution-immersion technique

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

Afaah, A. N., E-mail: afaahabdullah@yahoo.com; Asib, N. A. M., E-mail: amierahasib@yahoo.com; Aadila, A., E-mail: aadilaazizali@gmail.com

2016-07-06

p-type ZnO films have been fabricated on ZnO-seeded glass substrate, using AgNO{sub 3} as a source of silver dopant by facile solution-immersion. Cleaned glass substrate were seeded with ZnO by mist-atomisation, and next the seeded substrates were immersed in Ag:ZnO solution. The effects of Ag doping concentration on the Ag-doped ZnO have been investigated. The substrates were immersed in different concentrations of Ag dopant with variation of 0, 1, 3, 5 and 7 at. %. The surface morphology of the films was characterized by field emission scanning electron microscope (FESEM). In order to investigate the electrical properties, the films weremore » characterized by Current-Voltage (I-V) measurement. FESEM micrographs showed uniform distribution of nanostructured ZnO and Ag:ZnO. Besides, the electrical properties of Ag-doped ZnO were also dependent on the doping concentration. The I-V measurement result indicated the electrical properties of 1 at. % Ag:ZnO thin film owned highest electrical conductivity.« less

Ag- and Cu-doped multifunctional bioactive nanostructured TiCaPCON films

NASA Astrophysics Data System (ADS)

Shtansky, D. V.; Batenina, I. V.; Kiryukhantsev-Korneev, Ph. V.; Sheveyko, A. N.; Kuptsov, K. A.; Zhitnyak, I. Y.; Anisimova, N. Yu.; Gloushankova, N. A.

2013-11-01

A key property of multicomponent bioactive nanostructured Ti(C,N)-based films doped with Ca, P, and O (TiCaPCON) that can be improved further is their antibacterial effect that should be achieved without compromising the implant bioactivity and biocompatibility. The present work is focused on the study of structure, chemical, mechanical, tribological, and biological properties of Ag- and Cu-doped TiCaPCON films. The films with Ag (0.4-4 at.%) and Cu (13 at.%) contents were obtained by simultaneous sputtering of a TiC0.5-Ca3(PO4)2 target and either an Ag or a Cu target. The film structure was studied using X-ray diffraction, transmission and scanning electron microscopy, energy dispersive X-ray spectroscopy, glow discharge optical emission spectroscopy, and Raman-shift and IR spectroscopy. The films were characterized in terms of their hardness, elastic modulus, dynamic impact resistance, friction coefficient and wear rate (both in air and normal saline), surface wettability, electrochemical behavior and Ag or Cu ion release in normal saline. Particular attention was paid to the influence of inorganic bactericides (Ag and Cu ions) on the bactericidal activity against unicellular yeast fungus Saccharomyces cerevisiae and gram-positive bacteria Lactobacillus acidophilus, as well as on the attachment, spreading, actin cytoskeleton organization, focal adhesions, and early stages of osteoblastic cell differentiation. The obtained results show that the Ag-doped films are more suitable for the protection of metallic surfaces against bacterial infection compared with their Cu-doped counterpart. In particular, an excellent combination of mechanical, tribological, and biological properties makes Ag-doped TiCaPCON film with 1.2 at.% of Ag very attractive material for bioengineering and modification of load-bearing metal implant surfaces.

3D-nanostructured boron-doped diamond for microelectrode array neural interfacing.

PubMed

Piret, Gaëlle; Hébert, Clément; Mazellier, Jean-Paul; Rousseau, Lionel; Scorsone, Emmanuel; Cottance, Myline; Lissorgues, Gaelle; Heuschkel, Marc O; Picaud, Serge; Bergonzo, Philippe; Yvert, Blaise

2015-06-01

The electrode material is a key element in the design of long-term neural implants and neuroprostheses. To date, the ideal electrode material offering high longevity, biocompatibility, low-noise recording and high stimulation capabilities remains to be found. We show that 3D-nanostructured boron doped diamond (BDD), an innovative material consisting in a chemically stable material with a high aspect ratio structure obtained by encapsulation of a carbon nanotube template within two BDD nanolayers, allows neural cell attachment, survival and neurite extension. Further, we developed arrays of 20-μm-diameter 3D-nanostructured BDD microelectrodes for neural interfacing. These microelectrodes exhibited low impedances and low intrinsic recording noise levels. In particular, they allowed the detection of low amplitude (10-20 μV) local-field potentials, single units and multiunit bursts neural activity in both acute whole embryonic hindbrain-spinal cord preparations and long-term hippocampal cell cultures. Also, cyclic voltammetry measurements showed a wide potential window of about 3 V and a charge storage capacity of 10 mC.cm(-2), showing high potentiality of this material for neural stimulation. These results demonstrate the attractiveness of 3D-nanostructured BDD as a novel material for neural interfacing, with potential applications for the design of biocompatible neural implants for the exploration and rehabilitation of the nervous system. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Magnetic amphiphilic hybrid carbon nanotubes containing N-doped and undoped sections: powerful tensioactive nanostructures

NASA Astrophysics Data System (ADS)

Purceno, Aluir D.; Machado, Bruno F.; Teixeira, Ana Paula C.; Medeiros, Tayline V.; Benyounes, Anas; Beausoleil, Julien; Menezes, Helvecio C.; Cardeal, Zenilda L.; Lago, Rochel M.; Serp, Philippe

2014-11-01

In this work, unique amphiphilic magnetic hybrid carbon nanotubes (CNTs) are synthesized and used as tensioactive nanostructures in different applications. These CNTs interact very well with aqueous media due to the hydrophilic N-doped section, whereas the undoped hydrophobic one has strong affinity for organic molecules. The amphiphilic character combined with the magnetic properties of these CNTs opens the door to completely new and exciting applications in adsorption science and catalysis. These amphiphilic N-doped CNTs can also be used as powerful tensioactive emulsification structures. They can emulsify water/organic mixtures and by a simple magnetic separation the emulsion can be easily broken. We demonstrate the application of these CNTs in the efficient adsorption of various molecules, in addition to promoting biphasic processes in three different reactions, i.e. transesterification of soybean oil, quinoline extractive oxidation with H2O2 and a metal-catalyzed aqueous oxidation of heptanol with molecular oxygen.In this work, unique amphiphilic magnetic hybrid carbon nanotubes (CNTs) are synthesized and used as tensioactive nanostructures in different applications. These CNTs interact very well with aqueous media due to the hydrophilic N-doped section, whereas the undoped hydrophobic one has strong affinity for organic molecules. The amphiphilic character combined with the magnetic properties of these CNTs opens the door to completely new and exciting applications in adsorption science and catalysis. These amphiphilic N-doped CNTs can also be used as powerful tensioactive emulsification structures. They can emulsify water/organic mixtures and by a simple magnetic separation the emulsion can be easily broken. We demonstrate the application of these CNTs in the efficient adsorption of various molecules, in addition to promoting biphasic processes in three different reactions, i.e. transesterification of soybean oil, quinoline extractive oxidation with H2O2 and

Nanostructured Metal Oxides and Sulfides for Lithium-Sulfur Batteries.

PubMed

Liu, Xue; Huang, Jia-Qi; Zhang, Qiang; Mai, Liqiang

2017-05-01

Lithium-sulfur (Li-S) batteries with high energy density and long cycle life are considered to be one of the most promising next-generation energy-storage systems beyond routine lithium-ion batteries. Various approaches have been proposed to break down technical barriers in Li-S battery systems. The use of nanostructured metal oxides and sulfides for high sulfur utilization and long life span of Li-S batteries is reviewed here. The relationships between the intrinsic properties of metal oxide/sulfide hosts and electrochemical performances of Li-S batteries are discussed. Nanostructured metal oxides/sulfides hosts used in solid sulfur cathodes, separators/interlayers, lithium-metal-anode protection, and lithium polysulfides batteries are discussed respectively. Prospects for the future developments of Li-S batteries with nanostructured metal oxides/sulfides are also discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Microwave synthesis of molybdenum doped LiFePO4/C and its electrochemical studies.

PubMed

Naik, Amol; P, Sajan C

2016-05-10

A Mo-doped LiFePO4 composite was prepared successfully from an iron carbonyl complex by adopting a facile and rapid microwave assisted solid state method. The evolution of gases from the iron precursor produces a highly porous product. The formation and substitution of Mo in LiFePO4 were confirmed by X-ray diffraction; surface analysis was carried out by scanning electron microscopy, field emission scanning electron microscopy, and transmission electron microscopy. The electrochemical properties of the substituted LiFePO4 were examined by cyclic voltammetry, electrochemical impedance spectroscopy and by recording charge-discharge cycles. It was observed that the as prepared composites consisted of a single phase orthorhombic olivine-type structure, where Mo(6+) was successfully introduced into the M2(Fe) sites. Incorporation of supervalent Mo(6+) introduced Li(+) ion vacancies in LiFePO4. The synthesized material facilitated lithium ion diffusion during charging/discharging due to the charge compensation effect and porosity. The battery performance studies showed that LiMo0.05Fe0.095PO4 exhibited a maximum capacity of 169.7 mA h g(-1) at 0.1 C current density, with admirable stability retention. Even at higher current densities, the retention of the specific capacity was exceptional.

Evaluation of the physi- and chemisorption of hydrogen in alkali (Na, Li) doped fullerenes

DOE PAGES

Ward, Patrick A.; Teprovich, Jr., Jospeph A.; Compton, Robert N.; ...

2015-01-11

Here, alkali doped fullerenes synthesized by two different solvent assisted mixing techniques are compared for their hydrogen uptake activity. In this study we investigated the interaction of hydrogen with alkali doped fullerenes via physisorption. In addition, we present the first mass spectrometric evidence for the formation of C 60H 60 via chemisorption. Hydrogen physisorption isotherms up to 1 atm at temperatures ranging from 77-303 K were measured demonstrating an increase in hydrogen uptake versus pure C 60 and increased isosteric heats of adsorption for the lithium doped fullerene Li 12C 60. However, despite these improvements the low amount of physisorbedmore » hydrogen at 1 atm and 77 K in these materials suggests that fullerenes do not possess enough accessible surface area to effectively store hydrogen due to their close packed crystalline nature.« less

A photoluminescence, thermoluminescence and electron paramagnetic resonance study of EFG grown europium doped lithium fluoride (LiF) crystals

NASA Astrophysics Data System (ADS)

Seth, Pooja; Swati, G.; Haranath, D.; Rao, S. M. D.; Aggarwal, Shruti

2018-07-01

Europium (Eu) doped LiF crystals have been grown by the Edge-defined film fed growth (EFG) technique. The designing and installation of the furnace used for the growth of the crystals have been discussed in detail. In the present study, Eu (Eu2O3) has been doped in LiF in different concentration (0.02-0.2 wt %). X-ray diffractometry (XRD) and Energy Dispersive X-ray (EDX) spectroscopy confirms the incorporation of Eu in LiF. The influence of Eu on LiF has been investigated through photoluminescence (PL), thermoluminescence (TL) and electron paramagnetic resonance (EPR) in as-grown and annealed crystals. PL emission spectra shows the presence of both Eu3+ and Eu2+ form in the as-grown crystals which is confirmed by EPR results. Whereas, in annealed crystals, Eu is present predominantly as Eu2+ form. This suggests that growing crystals at high temperature (∼900 °C) in argon gas atmosphere through EFG technique favours the reduction of Eu3+ → Eu2+. This reduction phenomenon has been explained on the basis of charge compensation model. TL study of the LiF: Eu (0.02-0.2 wt %) crystals has been done after irradiation with Co60 gamma rays. In this study, it has been observed that the TL intensity as well as glow curve structure of LiF: Eu crystals are a strong function of Eu concentration. The maximum TL is observed at Eu concentration of 0.05 wt% at which a well defined glow curve structure with a prominent peak at 185 °C and a small peak at 253 °C. Beyond this concentration (0.05 wt %), TL intensity decreases due to aggregation of defects in the host. The peak at 185 °C in LiF: Eu (0.05 wt %) is certainly due to the presence of Eu2+ associated defects which is also supported by the PL spectra. It has been observed that Eu doping have a key role in creation of more defect levels which lead to the increased number of electron and hole traps. Further, trapping parameters are analysed using glow curve deconvolution method to have an insight study of TL phenomena

Effect of co-doping process on topography, optical and electrical properties of ZnO nanostructured

NASA Astrophysics Data System (ADS)

Mohamed, R.; Mamat, M. H.; Malek, M. F.; Ismail, A. S.; Yusoff, M. M.; Syamsir, S. A.; Khusaimi, Z.; Rusop, M.

2018-05-01

We investigated of Undoped ZnO and Magnesium (Mg)-Aluminium (Al) co-doped Zinc Oxide (MAZO) nanostructured films were prepared by sol gel spin coating technique. The surface topography was analyzed using Atomic Force Microscopy (AFM). Based on the AFM results, Root Mean Square (RMS) of MAZO films have rougher surface compared to pure ZnO films. The optical and electrical properties of thin film samples were characterized using Uv-Vis spectroscopy and two point probes, current-voltage (I-V) measurements. The transmittance spectra for both thin samples was above 80% in the visible wavelength. The MAZO film shows the highest conductivity compared to pure ZnO films. This result indicates that the improvement of carrier mobility throughout doping process and possibly contribute by extra ion charge.

Li2.97Mg0.03VO4: High rate capability and cyclability performances anode material for rechargeable Li-ion batteries

NASA Astrophysics Data System (ADS)

Dong, Youzhong; Zhao, Yanming; Duan, He; Singh, Preetam; Kuang, Quan; Peng, Hongjian

2016-07-01

Mg-doped composite, Li2.97Mg0.03VO4, with an orthorhombic structure was prepared by a sol-gel method. The effects of the Mg doping on the structure and electrochemical performance of Li3VO4 were investigated. The X-ray diffraction pattern shows that the Mg doping does not change the crystal structure of Li3VO4. The EDS mappings indicated the fairly uniform distribution of Mg throughout the grains of Li2.97Mg0.03VO4. Electronic conductivity of Mg-doped Li3VO4 increased by two orders of magnitude compared to that of pure Li3VO4. CV and EIS measurement confirms that the Li2.97Mg0.03VO4 sample exhibits a smaller polarization and transfer resistance and a higher lithium diffusion coefficient compared with the pure Li3VO4. Due to the better electrochemical kinetics properties, Mg-doped Li3VO4 showed a significant improved performance compared to the pure Li3VO4, especially for the high rate capability. At the higher discharge/charge rate (2C), the discharge and charge capacities of 415.5 and 406.1 mAh/g have been obtained for the Li2.97Mg0.03VO4 which is more than three times higher the discharge/charge capacities of Li3VO4. The discharge and charge capacities of pure Li3VO4 are only 126.4 and 125.8 mAh/g respectively. The excellent electrochemical performance of Li2.97Mg0.03VO4 enables it as a promising anode material for rechargeable lithium-ion batteries.

Synthesis and structural stability of Cr-doped Li2MnSiO4/C cathode materials by solid-state method

NASA Astrophysics Data System (ADS)

Cheng, Hong-Mei; Zhao, Shi-Xi; Wu, Xia; Zhao, Jian-Wei; Wei, Lei; Nan, Ce-Wen

2018-03-01

The crystal structure of the Li2MnSiO4 cathode material would collapse during the charge and discharge process because of that the Mn-O coordination polyhedron changed from [MnO4] into [MnO6] in the process of Mn+2 to Mn+4, but the Cr element could remain [CrO4] crystal ligand from Cr+2 to Cr+4, so Cr element substitution was used to improve the structural stability of the Li2MnSiO4 cathode material. In this work, Li2Mn1-xCrxSiO4/C nanocomposites were synthesized by solid-state method. XRD, SEM and TEM observations show that the as-prepared Li2Mn1-xCrxSiO4/C materials presents an orthorhombic crystal structure (S.G. Pmn21), the particle size of Li2Mn1-xCrxSiO4/C powder ranges from 50 to 100 nm. The XRD and XPS results indicate that Cr+2 is successfully doped into Li2MnSiO4 lattice and has well compatibility with Li2MnSiO4. The electrochemical results display that Li2Mn92.5%Cr7.5%SiO4/C exhibits significantly enhanced cycle stability and discharge capability. The initial discharge capacity of the Li2Mn92.5%Cr7.5%SiO4/C sample is 255 mAh g-1, and the discharge capacity was still about 60 mAh g-1 after 50 cycles. Furthermore, the XRD patterns, TEM images and Raman analysis reveal that the Cr doping enhances the structural stability of Li2Mn1-xCrxSiO4/C and improves the electrochemical activity of the cathode. Thus, the Li2Mn92.5%Cr7.5%SiO4/C have shown potential applications for lithium ion batteries.

PVP-Assisted Synthesis of Uniform Carbon Coated Li2S/CB for High-Performance Lithium-Sulfur Batteries.

PubMed

Chen, Lin; Liu, Yuzi; Zhang, Fan; Liu, Caihong; Shaw, Leon L

2015-11-25

The lithium-sulfur (Li-S) battery is a great alternative to the state-of-the-art lithium ion batteries due to its high energy density. However, low utilization of active materials, the insulating nature of sulfur or lithium sulfide (Li2S), and polysulfide dissolution in organic liquid electrolyte lead to low initial capacity and fast performance degradation. Herein, we propose a facile and viable approach to address these issues. This new approach entails synthesis of Li2S/carbon black (Li2S/CB) cores encapsulated by a nitrogen-doped carbon shell with polyvinylpyrrolidone (PVP) assistance. Combining energy-filtered transmission electron microscopy (EFTEM) elemental mappings, XPS and FTIR measurements, it is confirmed that the as-synthesized material has a structure of a Li2S/CB core with a nitrogen-doped carbon shell (denoted as Li2S/CB@NC). The Li2S/CB@NC cathode yields an exceptionally high initial capacity of 1020 mAh/g based on Li2S mass at 0.1 C with stable Coulombic efficiency of 99.7% over 200 cycles. Also, cycling performance shows the capacity decay per cycle as small as 0.17%. Most importantly, to further understand the materials for battery applications, field emission transmission electron microscopy (FETEM) and elemental mapping tests without exposure to air for Li2S samples in cycled cells are reported. Along with the first ever FETEM and field emission scanning electron microscopy (FESEM) investigations of cycled batteries, Li2S/CB@NC cathode demonstrates the capability of robust core-shell nanostructures for different rates and improved capacity retention, revealing Li2S/CB@NC designed here as an outstanding system for high-performance lithium-sulfur batteries.

Influence of niobium doping in hierarchically organized titania nanostructure on performance of dye-sensitized solar cells.

PubMed

Park, Jong Hoon; Noh, Jun Hong; Han, Byung Suh; Shin, Seong Sik; Park, Ik Jae; Kim, Dong Hoe; Hong, Kug Sun

2012-06-01

Niobium doped hierarchically organized TiO2 nanostructures composed of 20 nm size anatase nanocrystals were synthesized using pulsed laser deposition (PLD). The Nb doping concentration could be facilely controlled by adjusting the concentration of Nb in target materials. We could investigate the influence of Nb doping in the TiO2 photoelectrode on the cell performance of dye-sensitized solar cells (DSSCs) by the exclusion of morphological effects using the prepared Nb-doped TiO2 anostructures. We found no significant change in short circuit current density (Jsc) as a function of Nb doping concentration. However, open circuit voltage (Voc) and fill factor (FF) monotonously decrease with increasing Nb concentration. Dark current characteristics of the DSSCs reveal that the decrease in Voc and FF is attributed to the decrease in shunt resistance due to the increase in conductivity TiO2 by Nb doping. However, electrochemical impedance spectra (EIS) analysis at open circuit condition under illumination showed that the resistance at the TiO2/dye/electrolyte interface increases with Nb concentration, revealing that Nb doping suppress the charge recombination at the interface. In addition, electron life time obtained using characteristic frequency in Bode plot increases from 14 msec to 56 msec with increasing Nb concentration from 0 to 1.2 at%. This implies that the improved light harvesting can be achieved by increasing diffusion length through Nb-doping in the conventional TiO2 photoelectrode.

Transparent nanostructured Fe-doped TiO2 thin films prepared by ultrasonic assisted spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Rasoulnezhad, Hossein; Hosseinzadeh, Ghader; Ghasemian, Naser; Hosseinzadeh, Reza; Homayoun Keihan, Amir

2018-05-01

Nanostructured TiO2 and Fe-doped TiO2 thin films with high transparency were deposited on glass substrate through ultrasonic-assisted spray pyrolysis technique and were used in the visible light photocatalytic degradation of MB dye. The resulting thin films were characterized by scanning electron microscopy (SEM), Raman spectroscopy, photoluminescence spectroscopy, x-ray diffraction (XRD), and UV-visible absorption spectroscopy techniques. Based on Raman spectroscopy results, both of the TiO2 and Fe-doped TiO2 films have anatase crystal structure, however, because of the insertion of Fe in the structure of TiO2 some point defects and oxygen vacancies are formed in the Fe-doped TiO2 thin film. Presence of Fe in the structure of TiO2 decreases the band gap energy of TiO2 and also reduces the electron–hole recombination rate. Decreasing of the electron–hole recombination rate and band gap energy result in the enhancement of the visible light photocatalytic activity of the Fe-doped TiO2 thin film.

Enhanced lithium storage capability of Li3V2(PO4)3@C co-modified with graphene and Ce3+ doping as high-power cathode for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Tong, Junjie; Fang, Yunhui

2017-12-01

As a high-voltage cathode material, monoclinic Li3V2(PO4)3 has been proposed as the next-generation commercial electrode for lithium-ion batteries. Nevertheless, it remains a practical challenge to improve the poor electronic conductivity of Li3V2(PO4)3. Herein, we first design and fabricate the Li3V2(PO4)3@C (LVP@C) nanocrystals further modified by graphene and doped with Ce3+-ion via a facile sol-gel method. The Ce3+ doping can form a continuous conductive pathway in the electrode and thus improve the intrinsic electronic conductivity of Li3V2(PO4)3 material. Meanwhile, the residual carbon layer and graphene can also construct a conductive network, which is helpful to enhance the apparent conductivity of Li3V2(PO4)3. Therefore, the graphene and Ce3+ doping co-decorated LVP@C (G-LVCeP@C) composite exhibits better lithium storage capability than the LVP@C and Ce3+-doped LVP@C (LVCeP@C) materials. This novel design provides an effective strategy for the preparation of other electrodes for lithium-ion batteries.

Mesoporous carbon-coated LiFePO4 nanocrystals co-modified with graphene and Mg2+ doping as superior cathode materials for lithium ion batteries.

PubMed

Wang, Bo; Xu, Binghui; Liu, Tiefeng; Liu, Peng; Guo, Chenfeng; Wang, Shuo; Wang, Qiuming; Xiong, Zhigang; Wang, Dianlong; Zhao, X S

2014-01-21

In this work, mesoporous carbon-coated LiFePO4 nanocrystals further co-modified with graphene and Mg(2+) doping (G/LFMP) were synthesized by a modified rheological phase method to improve the speed of lithium storage as well as cycling stability. The mesoporous structure of LiFePO4 nanocrystals was designed and realized by introducing the bead milling technique, which assisted in forming sucrose-pyrolytic carbon nanoparticles as the template for generating mesopores. For comparison purposes, samples modified only with graphene (G/LFP) or Mg(2+) doping (LFMP) as well as pure LiFePO4 (LFP) were also prepared and investigated. Microscopic observation and nitrogen sorption analysis have revealed the mesoporous morphologies of the as-prepared composites. X-ray diffraction (XRD) and Rietveld refinement data demonstrated that the Mg-doped LiFePO4 is a single olivine-type phase and well crystallized with shortened Fe-O and P-O bonds and a lengthened Li-O bond, resulting in an enhanced Li(+) diffusion velocity. Electrochemical properties have also been investigated after assembling coin cells with the as-prepared composites as the cathode active materials. Remarkably, the G/LFMP composite has exhibited the best electrochemical properties, including fast lithium storage performance and excellent cycle stability. That is because the modification of graphene provided active sites for nuclei, restricted the in situ crystallite growth, increased the electronic conductivity and reduced the interface reaction current density, while, Mg(2+) doping improved the intrinsically electronic and ionic transfer properties of LFP crystals. Moreover, in the G/LFMP composite, the graphene component plays the role of "cushion" as it could quickly realize capacity response, buffering the impact to LFMP under the conditions of high-rate charging or discharging, which results in a pre-eminent rate capability and cycling stability.

Electrochemical capacitance of nanostructured ruthenium-doped tin oxide Sn1- x Ru x O2 by the microemulsion method

NASA Astrophysics Data System (ADS)

Saraswathy, Ramanathan

2017-12-01

Synthesis of nanostructured Ru-doped SnO2 was successfully carried out using the reverse microemulsion method. The phase purity and the crystallite size were analyzed by XRD. The surface morphology and the microstructure of synthesized nanoparticles were analyzed by SEM and TEM. The vibration mode of nanoparticles was investigated using FTIR and Raman studies. The electrochemical behavior of the Ru-doped SnO2 electrode was evaluated in a 0.1 mol/L Na2SO4 solution using cyclic voltammetry. The 5% Ru-doped SnO2 electrode exhibited a high specific capacitance of 535.6 F/g at a scan rate 20 mV/s, possessing good conductivity as well as the electrocycling stability. The Ru-doped SnO2 composite shows excellent electrochemical properties, suggesting that this composite is a promising material for supercapacitors.

Carbon and nitrogen co-doped bowl-like Au/TiO2 nanostructures with tunable size for enhanced visible-light-driven photocatalysis

NASA Astrophysics Data System (ADS)

Li, Yayuan; Cao, Shubo; Zhang, Ang; Zhang, Chen; Qu, Ting; Zhao, Yongbin; Chen, Aihua

2018-07-01

It is of great importance to extend the UV response of anatase TiO2 into the visible light range for the practical applications. Here, a facile rout to carbon and nitrogen co-doped, Au loaded bowl-like TiO2 nanostructures with tunable size are proposed by using self-assembled polystyrene-block-poly(4-vinylpyridine) (PS-b-P4VP) block copolymer (BCP) spherical micelles as templates. Amphiphilic PS-b-P4VP self-assembles to form PS@P4VP core-shell spherical micelles with P4VP as the out layer in an evaporable mixed solvents of ethanol/tetrahydrofuran (THF). The size of uniform PS@P4VP spherical micelles can be precisely tuned in the range of a few nm to several hundred nm by controlling the molecular composition of the BCPs. Bowl-like TiO2 nanostructures with a replicate size loaded with highly dispersed Au nanoparticles (NPs) of ∼5 nm in diameter are fabricated from these spherical micelles because of strong complex ability of pyridine groups. PS-b-P4VP provides carbon and nitrogen sources to dope the resulting samples simultaneously. The special carbon and nitrogen co-doped bowl-like Au/TiO2 nanostructures exhibit much higher photocatalytic activity in the photodegradation of rhodamine B (RhB) compared to Au/P25 under visible light irradiation. Furthermore, the photocatalytic activity is significantly influenced by the BCP molecular composition due to different surface area and loading capacity of the resulting samples. This study provides a facile way to synthesize multi-element doped hollow or bowl-like nanoparticles with tunable size in the nanometer range which have potential application at photocatalysis, oxygen reduction reaction, etc.

Effect of La-doping on the structural, morphological and electrochemical properties of LiCoO2 nanoparticles using Sol-Gel technique

NASA Astrophysics Data System (ADS)

Farid, Ghulam; Murtaza, Ghulam; Umair, Muhammad; Shahab Arif, Hafiz; Saad Ali, Hafiz; Muhammad, Nawaz; Ahmad, Mukhtar

2018-05-01

Sol-Gel auto combustion technique was used to synthesis La3+substituted LiCoO2 lithium-rich cathode materials to improve the cycling performance and rate capability. Samples with different concentration of La containing LiCo1‑xLaxO2 (with 0 ≤ x ≤ 0.20) were chemically prepared and calcined the obtained powders at 850 °C for 6 h. Various techniques for the investigation of lanthanum behaviour in LiCoO2 have been utilised, such as x-ray diffraction (XRD), Field emission scanning electron microscope (FESEM), Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), Near Edge x-ray absorption spectroscopy (NEXAS), Galvanostatic charge-discharge tests and cyclic voltammetry (CV). The formation of a hexagonal lattice of the α-NaFeO2 structure of LiCoO2, having space group R-3m is confirmed by x-ray diffraction analysis. FESEM results reveal that by increasing La contents the grain growth becomes distinct, well defined and smaller grains obtained. ATR-FTIR confirms the functional bonding in the prepared samples, as well XANES spectra reveals the electronic configuration valence state, chemical bonding character and local coordination of a specific atom. Maximum discharging capacities were observed in the La-doped material which is 182.38 mAhg‑1 and 56.2 mAhg‑1 at 0.1C and 5 C respectively and on average, this is more than 5% higher as compared to the pure LiCoO2. After 5C, the discharge capacity of the doped material at 0.1C can again reach 163.83 mAhg‑1, about 89% of the discharge capacity obtained in the first cycle. When 2032 type coin cells were cycled at a constant rate, an excellent cycling performance with capacity retention by a factor of ∼2 in comparison to the pristine LiCoO2 was observed for the composite cathode containing 4.0 mol% La. This reveals the structural stability induced by La doping. Remarkable improvement in reversibility and stability of the La-doped electrodes shown by cyclic voltammetry (CV). These

Removal of micrometer size morphological defects and enhancement of ultraviolet emission by thermal treatment of Ga-doped ZnO nanostructures.

PubMed

Manzoor, Umair; Kim, Do K; Islam, Mohammad; Bhatti, Arshad S

2014-01-01

Mixed morphologies of Ga-doped Zinc Oxide (ZnO) nanostructures are synthesized by vapor transport method. Systematic scanning electron microscope (SEM) studies of different morphologies, after periodic heat treatments, gives direct evidence of sublimation. SEM micrographs give direct evidence that morphological defects of nanostructures can be removed by annealing. Ultra Violet (UV) and visible emission depends strongly on the annealing temperatures and luminescent efficiency of UV emission is enhanced significantly with each subsequent heat treatment. X-Ray diffraction (XRD) results suggest that crystal quality improved by annealing and phase separation may occur at high temperatures.

Study of microstructural characterization and ionic conductivity of a chemical-covalent polyether-siloxane hybrid doped with LiClO4.

PubMed

Liang, Wuu-Jyh; Chen, Ying-Pin; Wu, Chien-Pang; Kuo, Ping-Lin

2005-12-29

The chemical-covalent polyether-siloxane hybrids (EDS) doped with various amounts of LiClO4 salt were characterized by FT-IR, DSC, TGA, and solid-state NMR spectra as well as impedance measurements. These observations indicate that different types of complexes by the interactions of Li+ and ClO4- ions are formed within the hybrid host, and the formation of transient cross-links between Li+ ions and ether oxygens results in the increase in T(g) of polyether segments and the decrease in thermal stability of hybrid electrolyte. Initially a cation complexation dominated by the oxirane-cleaved cross-link site and PEO block is present, and after the salt-doped level of O/Li+ = 20, the complexation through the PPO block becomes more prominent. Moreover, a significant degree of ionic association is examined in the polymer-salt complexes at higher salt uptakes. A VTF-like temperature dependence of ionic conductivity is observed in all of the investigated salt concentrations, implying that the diffusion of charge carrier is assisted by the segmental motions of the polymer chains. The behavior of ion transport in these hybrid electrolytes is further correlated with the interactions between ions and polymer host.

The design, fabrication, and photocatalytic utility of nanostructured semiconductors: focus on TiO2-based nanostructures

PubMed Central

Banerjee, Arghya Narayan

2011-01-01

Recent advances in basic fabrication techniques of TiO2-based nanomaterials such as nanoparticles, nanowires, nanoplatelets, and both physical- and solution-based techniques have been adopted by various research groups around the world. Our research focus has been mainly on various deposition parameters used for fabricating nanostructured materials, including TiO2-organic/inorganic nanocomposite materials. Technically, TiO2 shows relatively high reactivity under ultraviolet light, the energy of which exceeds the band gap of TiO2. The development of photocatalysts exhibiting high reactivity under visible light allows the main part of the solar spectrum to be used. Visible light-activated TiO2 could be prepared by doping or sensitizing. As far as doping of TiO2 is concerned, in obtaining tailored material with improved properties, metal and nonmetal doping has been performed in the context of improved photoactivity. Nonmetal doping seems to be more promising than metal doping. TiO2 represents an effective photocatalyst for water and air purification and for self-cleaning surfaces. Additionally, it can be used as an antibacterial agent because of its strong oxidation activity and superhydrophilicity. Therefore, applications of TiO2 in terms of photocatalytic activities are discussed here. The basic mechanisms of the photoactivities of TiO2 and nanostructures are considered alongside band structure engineering and surface modification in nanostructured TiO2 in the context of doping. The article reviews the basic structural, optical, and electrical properties of TiO2, followed by detailed fabrication techniques of 0-, 1-, and quasi-2-dimensional TiO2 nanomaterials. Applications and future directions of nanostructured TiO2 are considered in the context of various photoinduced phenomena such as hydrogen production, electricity generation via dye-sensitized solar cells, photokilling and self-cleaning effect, photo-oxidation of organic pollutant, wastewater management, and

Binder-free nitrogen-doped carbon paper electrodes derived from polypyrrole/cellulose composite for Li-O2 batteries

NASA Astrophysics Data System (ADS)

Liu, Jia; Wang, Zhaohui; Zhu, Jiefang

2016-02-01

This work presents a novel binder-free nitrogen-doped carbon paper electrode (NCPE), which was derived from a N-rich polypyrrole (PPy)/cellulose-chopped carbon filaments (CCFs) composite, for Li-O2 batteries. The fabrication of NCPE involved cheap raw materials (e.g., Cladophora sp. green algae) and easy operation (e.g., doping N by a carbonization of N-rich polymer), which is especially suitable for large-scale production. The NCPE exhibited a bird's nest microstructure, which could provide the self-standing electrode with considerable mechanic durability, fast Li+ and O2 diffusion, and enough space for the discharge product deposition. In addition, the NCPE contained N-containing function groups, which may promote the electrochemical reactions. Furthermore, binder-free architecture designs can prevent binder-involved parasitic reactions. A Li-O2 cell with the NCPE displayed a cyclability of more than 30 cycles at a constant current density of 0.1 mA/cm2. The 1st discharge capacity for a cell with the NCPE reached 8040 mAh/g at a current density of 0.1 mA/cm2, with a cell voltage around 2.81 V. A cell with the NCPE displayed a coulombic efficiency of 81% on the 1st cycle at a current density of 0.2 mA/cm2. These results represent a promising progress in the development of a low-cost and versatile paper-based O2 electrode for Li-O2 batteries.

Synthesis of LiNiO2 cathode materials with homogeneous Al doping at the atomic level

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

Liu, Zengcai; Zhen, Honghe; Kim, Yoongu

2011-01-01

Aluminum doped LiNiO2 cathode materials are synthesized by using Raney nickel as the starting material. The structure and composition are characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) coupled with elemental mapping. The lithium deficiency is analyzed by Rieveld refinement. The initial capacity and retention of capacity are correlated to the lithium deficiency of the resulting cathode material. Using strong oxidant of Li2O2 in the synthesis results in materials with improved electrochemical cyclability. The improvement is related to the diminishing of lithium deficiency in strong oxidizing synthesis conditions.

How lithium atoms affect the first hyperpolarizability of BN edge-doped graphene.

PubMed

Song, Yao-Dong; Wu, Li-Ming; Chen, Qiao-Ling; Liu, Fa-Kun; Tang, Xiao-Wen

2016-01-01

How do lithium atoms affect the first hyperpolarizability (β0) of boron-nitrogen (BN) edge-doped graphene. In this work, using pentacene as graphene model, Lin@BN-1 edge-doped pentacene and Lin@BN-2 edge-doped pentacene (n = 1, 5) were designed to study this problem. First, two models (BN-1 edge-doped pentacene, and BN-2 edge-doped pentacene ) were formed by doping the BN into the pentacene with different order, and then Li@BN-1 edge-doped pentacene and Li@ BN-2 edge-doped pentacene were obtained by substituting the H atom in BN edge-doped pentacene with a Li atom. The results show that the first hyperpolarizabilities of BN-1 edge-doped pentacene and Li@BN-1 edge-doped pentacene were 4059 a.u. and 6249 a.u., respectively; the first hyperpolarizabilities of BN-2 edge-doped pentacene and Li@BN-2 edge-doped pentacene were 2491 a.u. and 4265 a.u., respectively. The results indicate that the effect of Li substitution is to greatly increase the β0 value. To further enhance the first hyperpolarizability, Li5@ BN-1 edge-doped pentacene and Li5@BN-2 edge-doped pentacene were designed, and were found to exhibit considerably larger first hyperpolarizabilities (β0) (12,112 a.u. and 7921a.u., respectively). This work may inspire further study of the nonlinear properties of BN edge-doped graphene.

Computational and experimental investigation of Li-doped ionic liquid electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4].

PubMed

Haskins, Justin B; Bennett, William R; Wu, James J; Hernández, Dionne M; Borodin, Oleg; Monk, Joshua D; Bauschlicher, Charles W; Lawson, John W

2014-09-25

We employ molecular dynamics (MD) simulation and experiment to investigate the structure, thermodynamics, and transport of N-methyl-N-butylpyrrolidinium bis(trifluoromethylsufonyl)imide ([pyr14][TFSI]), N-methyl-N-propylpyrrolidinium bis(fluorosufonyl)imide ([pyr13][FSI]), and 1-ethyl-3-methylimidazolium boron tetrafluoride ([EMIM][BF4]), as a function of Li-salt mole fraction (0.05 ≤ xLi(+) ≤ 0.33) and temperature (298 K ≤ T ≤ 393 K). Structurally, Li(+) is shown to be solvated by three anion neighbors in [pyr14][TFSI] and four anion neighbors in both [pyr13][FSI] and [EMIM][BF4], and at all levels of xLi(+) we find the presence of lithium aggregates. Pulsed field gradient spin-echo NMR measurements of diffusion and electrochemical impedance spectroscopy measurements of ionic conductivity are made for the neat ionic liquids as well as 0.5 molal solutions of Li-salt in the ionic liquids. Bulk ionic liquid properties (density, diffusion, viscosity, and ionic conductivity) are obtained with MD simulations and show excellent agreement with experiment. While the diffusion exhibits a systematic decrease with increasing xLi(+), the contribution of Li(+) to ionic conductivity increases until reaching a saturation doping level of xLi(+) = 0.10. Comparatively, the Li(+) conductivity of [pyr14][TFSI] is an order of magnitude lower than that of the other liquids, which range between 0.1 and 0.3 mS/cm. Our transport results also demonstrate the necessity of long MD simulation runs (∼200 ns) to converge transport properties at room temperature. The differences in Li(+) transport are reflected in the residence times of Li(+) with the anions (τ(Li/-)), which are revealed to be much larger for [pyr14][TFSI] (up to 100 ns at the highest doping levels) than in either [EMIM][BF4] or [pyr13][FSI]. Finally, to comment on the relative kinetics of Li(+) transport in each liquid, we find that while the net motion of Li(+) with its solvation shell (vehicular) significantly

Computational and Experimental Investigation of Li-doped Ionic Liquid Electrolytes: [pyr14][tfsi], [pyr13][fsi], and [EMIM][BF4

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Bennett, William R.; Wu, James J.; Hernandez, Dionne M.; Borodin, Oleg; Monk, Joshua D.; Bauschlicher, Charles W.; Lawson, John W.

2014-01-01

We employ molecular dynamics (MD) simulation and experiment to investigate the structure, thermodynamics, and transport of N-methyl-N-butylpyrrolidinium bis(trifluoromethylsufonyl)imide ([pyr14][TFSI]), N -methyl-N-propylpyrrolidinium bis(fluorosufonyl)imide ([pyr13][FSI]), and 1-ethyl-3-methylimidazolium boron tetrafluoride ([EMIM][BF4]), as a function of Li-salt mole fraction (0.05 xLi+ 0.33) and temperature (298 K T 393 K). Structurally, Li+ is shown to be solvated by three anion neigh- bors in [pyr14][TFSI] and four anion neighbors in both [pyr13][FSI] and [EMIM][BF4], and at all levels of xLi+ we find the presence of lithium aggregates. Pulsed field gradient spin-echo NMR measurements of diffusion and electrochemical impedance spectroscopy measurements of ionic conductivity are made for the neat ionic liquids as well as 0.5 molal solutions of Li-salt in the ionic liquids. Bulk ionic liquid properties (density, diffusion, viscosity, and ionic conductivity) are obtained with MD and show excellent agreement with experiment. While the diffusion exhibits a systematic decrease with increasing xLi+, the contribution of Li+ to ionic conductivity increases until reach- ing a saturation doping level of xLi+ 0.10. Comparatively, the Li+ conductivity of [pyr14][TFSI] is an order of magnitude lower than that of the other liquids, which range between 0.1-0.3 mScm. Our transport results also demonstrate the necessity of long MD simulation runs ( 200 ns) required to converge transport properties at room T. The differences in Li+ transport are reflected in the residence times of Li+ with the anions (Li), which are revealed to be much larger for [pyr14][TFSI] (up to 100 ns at the highest doping levels) than in either [EMIM][BF4] or [pyr13][FSI]. Finally, to comment on the relative kinetics of Li+ transport in each liquid, we find that while the net motion of Li+ with its solvation shell (vehicular) significantly contributes to net diffusion in all liquids, the importance of

Influences of Co doping on the structural and optical properties of ZnO nanostructured

NASA Astrophysics Data System (ADS)

Majeed Khan, M. A.; Wasi Khan, M.; Alhoshan, Mansour; Alsalhi, M. S.; Aldwayyan, A. S.

2010-07-01

Pure and Co-doped ZnO nanostructured samples have been synthesized by a chemical route. We have studied the structural and optical properties of the samples by using X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), field-emission transmission electron microscope (FETEM), energy-dispersive X-ray (EDX) analysis and UV-VIS spectroscopy. The XRD patterns show that all the samples are hexagonal wurtzite structures. Changes in crystallite size due to mechanical activation were also determined from X-ray measurements. These results were correlated with changes in particle size followed by SEM and TEM. The average crystallite sizes obtained from XRD were between 20 to 25 nm. The TEM images showed the average particle size of undoped ZnO nanostructure was about 20 nm whereas the smallest average grain size at 3% Co was about 15 nm. Optical parameters such as absorption coefficient ( α), energy band gap ( E g ), the refractive index ( n), and dielectric constants ( σ) have been determined using different methods.

Cooperative and non-cooperative sensitization upconversion in lanthanide-doped LiYbF4 nanoparticles.

PubMed

Zou, Qilin; Huang, Ping; Zheng, Wei; You, Wenwu; Li, Renfu; Tu, Datao; Xu, Jin; Chen, Xueyuan

2017-05-18

Lanthanide (Ln 3+ )-doped upconversion nanoparticles (UCNPs) have attracted tremendous interest owing to their potential bioapplications. However, the intrinsic photophysics responsible for upconversion (UC) especially the cooperative sensitization UC (CSU) in colloidal Ln 3+ -doped UCNPs has remained untouched so far. Herein, we report a unique strategy for the synthesis of high-quality LiYbF 4 :Ln 3+ core-only and core/shell UCNPs with tunable particle sizes and shell thicknesses. Energy transfer UC from Er 3+ , Ho 3+ and Tm 3+ and CSU from Tb 3+ were comprehensively surveyed under 980 nm excitation. Through surface passivation, we achieved efficient non-cooperative sensitization UC with absolute UC quantum yields (QYs) of 3.36%, 0.69% and 0.81% for Er 3+ , Ho 3+ and Tm 3+ , respectively. Particularly, we for the first time quantitatively determined the CSU efficiency for Tb 3+ with an absolute QY of 0.0085% under excitation at a power density of 70 W cm -2 . By means of temperature-dependent steady-state and transient UC spectroscopy, we unraveled the dominant mechanisms of phonon-assisted cooperative energy transfer (T > 100 K) and sequential dimer ground-state absorption/excited-state absorption (T < 100 K) for the CSU process in LiYbF 4 :Tb 3+ UCNPs.

A temperature sensor based on the enhanced upconversion luminescence of Li+ doped NaLuF4:Yb3+,Tm3+/Er3+ nano/microcrystals.

PubMed

Qiang, Qinping; Du, Shanshan; Ma, Xinlong; Chen, Wenbo; Zhang, Gangyi; Wang, Yuhua

2018-05-09

In this paper, fluorescent and optical temperature sensing bi-functional Li+-doping NaLuF4:Ln (Ln = Yb3+, Tm3+/Er3+) nanocrystals were synthesized via a simple hydrothermal method using oleic acid as a capping ligand. The crystal phase, size, upconversion (UC) properties, and optical temperature sensing characteristics of the crystals can be easily modified by Li+ doping. The results reveal that additional Li+ can promote the transformation from the hexagonal phase to the cubic phase and reduce the size of the nanocrystals. In addition, NaLuF4:Ln (Ln = Yb3+, Tm3+, Li+) nanocrystals present efficient near infrared (NIR) emission, which is beneficial for in vivo biomedical applications due to the increased penetration depth and low radiation damage of NIR light in bio-tissues. More importantly, under 980 nm excitation, the temperature dependent UCL from the 2H11/2 and 4S3/2 levels of Er3+ ions in NaLuF4:Yb3+,Er3+,Li+ microcrystals was investigated systematically. The fluorescence intensity ratios (FIR) of the pairs of thermally coupled levels were studied as a function of temperature in the range of 298-523 K. The maximum sensor sensitivities were found to be about 0.0039 K-1 (523 K) by exploiting the UC emissions from the 2H11/2 and 4S3/2 levels. This suggests that the Li+-doped upconversion luminescence (UCL) materials are promising prototypes for application as multi-mode probes for use in bio-separation and optical thermometers.

High ion conductive Sb2O5-doped β-Li3PS4 with excellent stability against Li for all-solid-state lithium batteries

NASA Astrophysics Data System (ADS)

Xie, Dongjiu; Chen, Shaojie; Zhang, Zhihua; Ren, Jie; Yao, Lili; Wu, Linbin; Yao, Xiayin; Xu, Xiaoxiong

2018-06-01

The combination of high conductivity and good stability against Li is not easy to achieve for solid electrolytes, hindering the development of high energy solid-state batteries. In this study, doped electrolytes of Li3P1-xSbxS4-2.5xO2.5x are successfully prepared via the high energy ball milling and subsequent heat treatment. Plenty of techniques like XRD, Raman, SEM, EDS and TEM are utilized to characterize the crystal structures, particle sizes, and morphologies of the glass-ceramic electrolytes. Among them, the Li3P0.98Sb0.02S3.95O0.05 (x = 0.02) exhibits the highest ionic conductivity (∼1.08 mS cm-1) at room temperature with an excellent stability against lithium. In addition, all-solid-state lithium batteries are assembled with LiCoO2 as cathode, Li10GeP2S12/Li3P0.98Sb0.02S3.95O0.05 as the bi-layer electrolyte, and lithium as anode. The constructed solid-state batteries delivers a high initial discharge capacity of 133 mAh g-1 at 0.1C in the range of 3.0-4.3 V vs. Li/Li+ at room temperature, and shows a capacity retention of 78.6% after 50 cycles. Most importantly, the all-solid-state lithium batteries with the Li10GeP2S12/Li3P0.98Sb0.02S3.95O0.05 electrolyte can be workable even at -10 °C. This study provides a promising electrolyte with the improved conductivity and stability against Li for the application of all-solid-state lithium batteries.

Removal of Micrometer Size Morphological Defects and Enhancement of Ultraviolet Emission by Thermal Treatment of Ga-Doped ZnO Nanostructures

PubMed Central

Manzoor, Umair; Kim, Do K.; Islam, Mohammad; Bhatti, Arshad S.

2014-01-01

Mixed morphologies of Ga-doped Zinc Oxide (ZnO) nanostructures are synthesized by vapor transport method. Systematic scanning electron microscope (SEM) studies of different morphologies, after periodic heat treatments, gives direct evidence of sublimation. SEM micrographs give direct evidence that morphological defects of nanostructures can be removed by annealing. Ultra Violet (UV) and visible emission depends strongly on the annealing temperatures and luminescent efficiency of UV emission is enhanced significantly with each subsequent heat treatment. X-Ray diffraction (XRD) results suggest that crystal quality improved by annealing and phase separation may occur at high temperatures. PMID:24489725

Towards High Capacity Li-ion Batteries Based on Silicon-Graphene Composite Anodes and Sub-micron V-doped LiFePO4 Cathodes

NASA Astrophysics Data System (ADS)

Loveridge, M. J.; Lain, M. J.; Johnson, I. D.; Roberts, A.; Beattie, S. D.; Dashwood, R.; Darr, J. A.; Bhagat, R.

2016-11-01

Lithium iron phosphate, LiFePO4 (LFP) has demonstrated promising performance as a cathode material in lithium ion batteries (LIBs), by overcoming the rate performance issues from limited electronic conductivity. Nano-sized vanadium-doped LFP (V-LFP) was synthesized using a continuous hydrothermal process using supercritical water as a reagent. The atomic % of dopant determined the particle shape. 5 at. % gave mixed plate and rod-like morphology, showing optimal electrochemical performance and good rate properties vs. Li. Specific capacities of >160 mAh g-1 were achieved. In order to increase the capacity of a full cell, V-LFP was cycled against an inexpensive micron-sized metallurgical grade Si-containing anode. This electrode was capable of reversible capacities of approximately 2000 mAh g-1 for over 150 cycles vs. Li, with improved performance resulting from the incorporation of few layer graphene (FLG) to enhance conductivity, tensile behaviour and thus, the composite stability. The cathode material synthesis and electrode formulation are scalable, inexpensive and are suitable for the fabrication of larger format cells suited to grid and transport applications.

Towards High Capacity Li-ion Batteries Based on Silicon-Graphene Composite Anodes and Sub-micron V-doped LiFePO4 Cathodes.

PubMed

Loveridge, M J; Lain, M J; Johnson, I D; Roberts, A; Beattie, S D; Dashwood, R; Darr, J A; Bhagat, R

2016-11-29

Lithium iron phosphate, LiFePO 4 (LFP) has demonstrated promising performance as a cathode material in lithium ion batteries (LIBs), by overcoming the rate performance issues from limited electronic conductivity. Nano-sized vanadium-doped LFP (V-LFP) was synthesized using a continuous hydrothermal process using supercritical water as a reagent. The atomic % of dopant determined the particle shape. 5 at. % gave mixed plate and rod-like morphology, showing optimal electrochemical performance and good rate properties vs. Li. Specific capacities of >160 mAh g -1 were achieved. In order to increase the capacity of a full cell, V-LFP was cycled against an inexpensive micron-sized metallurgical grade Si-containing anode. This electrode was capable of reversible capacities of approximately 2000 mAh g -1 for over 1 50 cycles vs. Li, with improved performance resulting from the incorporation of few layer graphene (FLG) to enhance conductivity, tensile behaviour and thus, the composite stability. The cathode material synthesis and electrode formulation are scalable, inexpensive and are suitable for the fabrication of larger format cells suited to grid and transport applications.

Electrospinning preparation of one-dimensional Ce3+-doped Li4Ti5O12 sub-microbelts for high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Ji, Xueyang; Li, Dong; Lu, Qifang; Guo, Enyan; Yao, Linbing

2017-12-01

One-dimensional Ce3+-doped Li4Ti5O12 (Li4Ti5- x Ce x O12, x = 0, 0.01, 0.02, and 0.05) sub-microbelts with the width of approximately 500 nm and thickness of about 200 nm have been synthesized via the facile electrospinning method. The structure and morphology of the as-prepared samples are characterized by XRD, TEM, SEM, BET, HRTEM, XPS, and AFM. Importantly, one-dimensional Li4Ti5O12 sub-microbelts can be well preserved with the introduction of Ce3+ ions, while CeO2 impurity is obtained when x is greater than or equal to 0.02. The comparative experiments prove that Ce3+-doped Li4Ti5O12 electrodes exhibit the brilliant electrochemical performance than undoped counterpart. Particularly, the reversible capacity of Li4Ti4.98Ce0.02O12 electrode reaches up to 139.9 mAh g-1 and still maintains at 132.6 mAh g-1 even after 100 cycles under the current rate of 4 C. The superior lithium storage properties of Li4Ti4.98Ce0.02O12 electrode could be attributed to their intrinsic structure advantage as well as enhanced overall conductivity. [Figure not available: see fulltext.

Mesoporous Phosphorus-Doped g-C3N4 Nanostructured Flowers with Superior Photocatalytic Hydrogen Evolution Performance.

PubMed

Zhu, Yun-Pei; Ren, Tie-Zhen; Yuan, Zhong-Yong

2015-08-05

Graphitic carbon nitride (g-C3N4) has been deemed a promising heterogeneous metal-free catalyst for a wide range of applications, such as solar energy utilization toward water splitting, and its photocatalytic performance is reasonably adjustable through tailoring its texture and its electronic and optical properties. Here phosphorus-doped graphitic carbon nitride nanostructured flowers of in-plane mesopores are synthesized by a co-condensation method in the absence of any templates. The interesting structures, together with the phosphorus doping, can promote light trapping, mass transfer, and charge separation, enabling it to perform as a more impressive catalyst than its pristine carbon nitride counterpart for catalytic hydrogen evolution under visible light irradiation. The catalyst has low cost, is environmentally friendly, and represents a potential candidate in photoelectrochemistry.

Synthesis, characterization and lithium-ion migration dynamics simulation of LiFe1- x T x PO4 (T = Mn, Co, La and Ce) doping cathode material for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Xiao, Yi; Zhang, Fu Chun; Han, Jeong In

2016-11-01

LiFePO4 was doped by metallic cation in Fe sites via ball milling by a solid-state reaction method synthesis, and with very low-level doping of these samples, such as Li0.95T0.05FePO4 (where T = Mn2+, Co2+, La3+, Ce4+). The effects of doping were studied by X-ray diffraction pattern, Raman shift, scanning electronic microscopy and energy-dispersive X-ray spectroscopy as sample characterizations. The results indicate that these dopants have no significant effect on the structure of the material, but considerably improve its electrochemical behavior. First-principles calculations were used to obtain the migration pathway of Li ions along the one-dimensional (010) direction in LiFePO4, and molecular dynamics simulation was used to investigate the lithium-ion diffusion coefficients ( D Li) inside LiFePO4, which were derived from the slope of the mean square displacement versus time plots. The evolution of the structure during the simulation was analyzed by the radial distribution function to obtain the data, and radial distribution functions and mean square displacements were used to confirm the formation of crystalline units and the evolution of structure.

Co-precipitation synthesis of nanostructured Cu3SbSe4 and its Sn-doped sample with high thermoelectric performance.

PubMed

Li, Di; Li, Rui; Qin, Xiao-Ying; Song, Chun-Jun; Xin, Hong-Xing; Wang, Ling; Zhang, Jian; Guo, Guang-lei; Zou, Tian-Hua; Liu, Yong-Fei; Zhu, Xiao-Guang

2014-01-28

Large-scale fabrication of nanostructured Cu3SbSe4 and its Sn-doped sample Cu3Sb0.98Sn0.02Se4 through a low-temperature co-precipitation route is reported. The effects of hot-pressing temperatures, time and Sn doping on the thermoelectric properties of Cu3SbSe4 are explored. The maximum figure of merit ZTmax obtained here reaches 0.62 for the un-doped Cu3SbSe4, which is three times as large as that of Cu3SbSe4 synthesized by the fusion method. Due to the ameliorated power factor by optimized carrier concentration and the reduced lattice thermal conductivity by enhanced phonon scattering at grain interfaces, Sn doping leads to an improvement of thermoelectric performance as compared to Cu3SbSe4. The maximum ZT for Cu3Sb0.98Sn0.02Se4 is 1.05 in this work, which is 50% larger than the largest value reported.

Luminescence properties of Dy 3+ -doped Li 2 SrSiO 4 for NUV-excited white LEDs

NASA Astrophysics Data System (ADS)

You, Panli; Yin, Guangfu; Chen, Xianchun; Yue, Bo; Huang, Zhongbing; Liao, Xiaoming; Yao, Yadong

2011-09-01

A series of single-phase full color phosphors, Dy 3+-doped Li 2SrSiO 4 was synthesized by a solid-state reaction method. The phase of the as-prepared powders was measured by X-ray diffraction pattern (XRD) and the chemical composition was characterized using energy dispersive spectroscopy (EDS). The luminescent properties of Li 2SrSiO 4:Dy 3+ were systematically investigated by concentration quenching, decay behavior and thermal stability measurements. The results suggested that the emission intensity of the Li 2SrSiO 4:Dy 3+ was much stronger than that of Li 2SrSiO 4:Eu 2+. It was worth to mention that Li 2SrSiO 4:Dy 3+ phosphor possessed excellent thermal stability for use in light-emitting diodes (LEDs) and the emission intensity measured at 300 °C was only decreased 8% comparing with that measured at room temperature. Furthermore, the Commission International del'Eclairage (CIE) chromaticity coordinates of Li 2SrSiO 4:Dy 3+ moved toward the ideal white light coordinates (0.33, 0.33). All results demonstrated that Li 2SrSiO 4:Dy 3+ might be a potential phosphor for NUV-based white light-emitting diodes.

Seebeck and figure of merit enhancement in nanostructured antimony telluride by antisite defect suppression through sulfur doping.

PubMed

Mehta, Rutvik J; Zhang, Yanliang; Zhu, Hong; Parker, David S; Belley, Matthew; Singh, David J; Ramprasad, Ramamurthy; Borca-Tasciuc, Theodorian; Ramanath, Ganpati

2012-09-12

Antimony telluride has a low thermoelectric figure of merit (ZT < ∼0.3) because of a low Seebeck coefficient α arising from high degenerate hole concentrations generated by antimony antisite defects. Here, we mitigate this key problem by suppressing antisite defect formation using subatomic percent sulfur doping. The resultant 10-25% higher α in bulk nanocrystalline antimony telluride leads to ZT ∼ 0.95 at 423 K, which is superior to the best non-nanostructured antimony telluride alloys. Density functional theory calculations indicate that sulfur increases the antisite formation activation energy and presage further improvements leading to ZT ∼ 2 through optimized doping. Our findings are promising for designing novel thermoelectric materials for refrigeration, waste heat recovery, and solar thermal applications.

Defect dynamics in Li substituted nanocrystalline ZnO: A spectroscopic analysis

NASA Astrophysics Data System (ADS)

Ghosh, S.; Nambissan, P. M. G.; Thapa, S.; Mandal, K.

2014-12-01

Very recently, vacancy-type defects have been found to play a major role in stabilizing d0 ferromagnetism in various low dimensional ZnO systems. In this context, the evolution of vacancy-type defects within the ZnO nanocrystals due to the doping of ZnO by alkali metal lithium (Li) is investigated using X-ray photoelectron (XPS), photoluminescence (PL) and positron annihilation spectroscopy (PAS). Li-doping is found to have significant effects in modifying the vacancy-type defects, especially the Zn vacancy (VZn) defects within the ZnO lattice. XPS measurement indicated that initially the Li1+ ions substitute at Zn2+ sites, but when Li concentration exceeds 7 at%, excess Li starts to move through the interstitial sites. The increase in positron lifetime components and the lineshape S-parameter obtained from coincident Doppler broadening spectra with Li-doping indicated an enhancement of VZn defect concentration within the doped ZnO lattice. The vacancy type defects, initially of the predominant configuration VZn+O+Zn got reduced to neutral ZnO divacancies due to the partial recombination by the doped Li1+ ions but, when the doping concentration exceeded 7 at% and Li1+ ions started migrating to the interstitials, positron diffusion is partly impeded and this results in reduced probability of annihilation. PL spectra have shown intense green and yellow-orange emission due to the stabilization of a large number of VZn defects and Li substitutional (LiZn) defects respectively. Hence Li can be a very useful dopant in stabilizing and modifying significant amount of Zn vacancy-defects which can play a useful role in determining the material behavior.

Positron annihilation spectroscopy in doped p-type ZnO

NASA Astrophysics Data System (ADS)

Majumdar, Sayanee; Sanyal, D.

2011-07-01

Positron annihilation lifetime (PAL) spectroscopy has been used to investigate the vacancy type defect of the Li and N doped ZnO. The mono-vacancies, shallow -vacancies and open volume defects have been found in both the Li and N doped ZnO. The mono-vacancies, shallow-vacancies and open volume defects increase in N-doped ZnO as the size of N is quite high compared to Li. Positron annihilation study showed that the doping above 1-3% Li and 3-4% N in ZnO are not required in order to achieve low resistivity, high hole concentration and good mobility.

Density functional theory calculation of monolayer WTe2 transition metal dichalcogenides doped with H, Li and Be

NASA Astrophysics Data System (ADS)

Igumbor, E.; Mapasha, R. E.; Meyer, W. E.

2018-04-01

Results based on density functional theory modelling of electronic and structural properties of single layer WTe2 dichalcogenides doped with X (X=H, Li and Be) were presented. The generalized gradient approximation functional of Perdew, Burke, and Ernzerhof exchange correlation was used for all calculations. Formation energies of X dopant substituted for W (XW) were obtained to be between 3.59 and 2.61 eV. The LiW defect with energy of formation of 2.14 eV was energetically the most favourable. For all dopants considered, while the HW induced no magnetic moment, the LiW and BeW induced magnetic moments of 3.44 and 0.05 μB, respectively. The band gap of the WTe2 as a result of the dopants was populated with several orbital ground states, and thus reduced within a few eV. While all XW behave as p - type dopant, the LiW defect posses half metallic character.

Spectroscopic and neutron detection properties of rare earth and titanium doped LiAlO 2 single crystals

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

Dickens, Peter T.; Marcial, José; McCloy, John

In this study, LiAlO2 crystals doped with rare-earth elements and Ti were produced by the CZ method and spectroscopic and neutron detection properties were investigated. Photoluminescence revealed no clear luminescent activation of LiAlO2 by the rare-earth dopants though some interesting luminescence was observed from secondary phases within the crystal. Gamma-ray pulse height spectra collected using a 137Cs source exhibited only a Compton edge for the crystals. Neutron modeling using Monte Carlo N-Particle Transport Code revealed most neutrons used in the detection setup are thermalized, and while using natural lithium in the crystal growth, which contains 7.6 % 6Li, a 10more » mm Ø by 10 mm sample of LiAlO2 has a 70.7 % intrinsic thermal neutron capture efficiency. Furthermore, the pulse height spectra collected using a 241Am-Be neutron source demonstrated a distinct neutron peak.« less

Spectroscopic and neutron detection properties of rare earth and titanium doped LiAlO 2 single crystals

DOE PAGES

Dickens, Peter T.; Marcial, Jose; McCloy, John; ...

2017-05-17

In this study, LiAlO 2 crystals doped with rare-earth elements and Ti were produced by the CZ method and spectroscopic and neutron detection properties were investigated. Photoluminescence revealed no clear luminescent activation of LiAlO 2 by the rare-earth dopants though some interesting luminescence was observed from secondary phases within the crystal. Gamma-ray pulse height spectra collected using a 137Cs source exhibited only a Compton edge for the crystals. Neutron modeling using Monte Carlo N-Particle Transport Code revealed most neutrons used in the detection setup are thermalized, and while using natural lithium in the crystal growth, which contains 7.6% 6Li, amore » 10 mm Ø by 10 mm sample of LiAlO 2 has a 70.7% intrinsic thermal neutron capture efficiency. Furthermore, the pulse height spectra collected using a 241Am-Be neutron source demonstrated a distinct neutron peak.« less

Dielectric properties and nonlinear I-V electrical behavior of (Li1+, Al3+) co-doped CaCu3Ti4O12 ceramics

NASA Astrophysics Data System (ADS)

Sun, Li; Ni, Qing; Guo, Jianqin; Cao, Ensi; Hao, Wentao; Zhang, Yongjia; Ju, Lin

2018-06-01

(Li1+, Al3+) co-doped CaCu3Ti4O12 ceramics (CaCu3-2 x Li x Al x Ti4O12, x = 0.05, 0.1, 0.15) were prepared by a sol-gel method and were sintered at 1020-1080 °C for 8 h to improve the geometric microstructure, dielectric and nonlinear I-V electrical properties. Notably, very high dielectric constant of 1 × 105 with good dielectric-frequency as well as dielectric-temperature stability can be achieved in CaCu2.8Li0.1Al0.1Ti4O12 ceramic sintered at 1060 °C. The average grain sizes, resistivity and the non-Ohmic properties are also improved compared to pure CaCu3Ti4O12. These results indicate that (Li1+, Al3+) co-doping at the Cu2+ site can improve the dielectric properties of CaCu3Ti4O12, supporting the internal barrier layer capacitance effect of Schottky barriers at grain boundaries.

A comparative study of optical and radiative characteristics of X-ray-induced luminescent defects in Ag-doped glass and LiF thin films and their applications in 2-D imaging

NASA Astrophysics Data System (ADS)

Kurobori, T.; Miyamoto, Y.; Maruyama, Y.; Yamamoto, T.; Sasaki, T.

2014-05-01

We report novel disk-type X-ray two-dimensional (2-D) imaging detectors utilising Ag-doped phosphate glass and lithium fluoride (LiF) thin films based on the radiophotoluminescence (RPL) and photoluminescence (PL) phenomena, respectively. The accumulated X-ray doses written in the form of atomic-scale Ag-related luminescent centres in Ag-doped glass and F-aggregated centres in LiF thin films were rapidly reconstructed as a dose distribution using a homemade readout system. The 2-D images reconstructed from the RPL and PL detectors are compared with that from the optically stimulated luminescence (OSL) detector. In addition, the optical and dosimetric characteristics of LiF thin films are investigated and evaluated. The possibilities of dose distributions with a high spatial resolution on the order of microns over large areas, a wide dynamic range covering 11 orders of magnitude and a non-destructive readout are successfully demonstrated by combining the Ag-doped glass with LiF thin films.

Surface plasmon enhanced SWIR absorption at the ultra n-doped substrate/PbSe nanostructure layer interface

NASA Astrophysics Data System (ADS)

Wittenberg, Vladimir; Rosenblit, Michael; Sarusi, Gabby

2017-08-01

This work presents simulation results of the plasmon enhanced absorption that can be achieved in the short wavelength infrared (SWIR - 1200 nm to 1800 nm) spectral range at the interface between ultra-heavily doped substrates and a PbSe nanostructure non-epitaxial growth absorbing layer. The absorption enhancement simulated in this study is due to surface plasmon polariton (SPP) excitation at the interface between these ultra-heavily n-doped GaAs or GaN substrates, which are nearly semimetals to SWIR light, and an absorption layer made of PbSe nano-spheres or nano-columns. The ultra-heavily doped GaAs or GaN substrates are simulated as examples, based on the Drude-Lorentz permittivity model. In the simulation, the substrates and the absorption layer were patterned jointly to forma blazed lattice, and then were back-illuminated using SWIR with a central wavelength of 1500 nm. The maximal field enhancement achieved was 17.4 with a penetration depth of 40 nm. Thus, such architecture of an ultra-heavily doped semiconductor and infrared absorbing layer can further increase the absorption due to the plasmonic enhanced absorption effect in the SWIR spectral band without the need to use a metallic layer as in the case of visible light.

Effect of Cu Doping on the Structural and Electrochemical Performance of LiNi1/3Co1/3Mn1/3O2 Cathode Materials

NASA Astrophysics Data System (ADS)

Yang, Li; Ren, Fengzhagn; Feng, Qigao; Xu, Guangri; Li, Xiaobo; Li, Yuanchao; Zhao, Erqing; Ma, Jignjign; Fan, Shumin

2018-04-01

The structural and electrochemical performance of Cu-doped, Li[Ni1/3-xCo1/3 Mn1/3Cux]O2 (x = 0-0.1) cathode materials obtained by means of the sol-gel method are discussed; we used critic acid as gels and spent mixed batteries as the raw materials. The effects of the sintering time, sintering temperature, and Cu doping ratio on the phase structure, morphology, and element composition and the behavior in a galvanostatical charge/discharge test have been systemically studied. The results show that the Cu-doped material exhibits better galvanostatic charge/discharge cycling performance. At 0.2 C, its original discharge specific capacity is 180.4 mAh g-1 and its Coulomb efficiency is 90.3%. The Cu-doped material demonstrate an outstanding specific capacity at 0.2 C, 0.5 C, and 2.0 C. In comparison with the original capacities of 178 mAh g-1, 159.5 mAh g-1, and 119.4 mAh g-1, the discharge capacity after 50 cycles is 160.8 mAh g-1, 143.4 mAh g-1, and 90.1 mAh g-1, respectively. This obvious improvement relative to bare Li[Ni1/3Co1/3Mn1/3]O2 cathode materials arises from an enlarged Li layer spacing and a reduced degree of cation mixing. Therefore, Cu-doped cathode materials have obvious advantages in the field of lithium-ion batteries and their applications.

Effect of Cu Doping on the Structural and Electrochemical Performance of LiNi1/3Co1/3Mn1/3O2 Cathode Materials

NASA Astrophysics Data System (ADS)

Yang, Li; Ren, Fengzhagn; Feng, Qigao; Xu, Guangri; Li, Xiaobo; Li, Yuanchao; Zhao, Erqing; Ma, Jignjign; Fan, Shumin

2018-07-01

The structural and electrochemical performance of Cu-doped, Li[Ni1/3-xCo1/3 Mn1/3Cux]O2 ( x = 0-0.1) cathode materials obtained by means of the sol-gel method are discussed; we used critic acid as gels and spent mixed batteries as the raw materials. The effects of the sintering time, sintering temperature, and Cu doping ratio on the phase structure, morphology, and element composition and the behavior in a galvanostatical charge/discharge test have been systemically studied. The results show that the Cu-doped material exhibits better galvanostatic charge/discharge cycling performance. At 0.2 C, its original discharge specific capacity is 180.4 mAh g-1 and its Coulomb efficiency is 90.3%. The Cu-doped material demonstrate an outstanding specific capacity at 0.2 C, 0.5 C, and 2.0 C. In comparison with the original capacities of 178 mAh g-1, 159.5 mAh g-1, and 119.4 mAh g-1, the discharge capacity after 50 cycles is 160.8 mAh g-1, 143.4 mAh g-1, and 90.1 mAh g-1, respectively. This obvious improvement relative to bare Li[Ni1/3Co1/3Mn1/3]O2 cathode materials arises from an enlarged Li layer spacing and a reduced degree of cation mixing. Therefore, Cu-doped cathode materials have obvious advantages in the field of lithium-ion batteries and their applications.

Li 2Se as a Neutron Scintillator

DOE PAGES

Du, Mao-Hua; Shi, Hongliang; Singh, David J.

2015-06-23

We show that Li 2Se:Te is a potential neutron scintillator material based on density functional calculations. Li 2Se exhibits a number of properties favorable for efficient neutron detection, such as a high Li concentration for neutron absorption, a small effective atomic mass and a low density for reduced sensitivity to background gamma rays, and a small band gap for a high light yield. Our calculations show that Te doping should lead to the formation of deep acceptor complex V Li-Te Se, which can facilitate efficient light emission, similar to the emission activation in Te doped ZnSe.

A first-principles study of the preventive effects of Al and Mg doping on the degradation in LiNi0.8Co0.1Mn0.1O2 cathode materials.

PubMed

Min, Kyoungmin; Seo, Seung-Woo; Song, You Young; Lee, Hyo Sug; Cho, Eunseog

2017-01-18

First-principles calculations have been used to investigate the effects of Al and Mg doping on the prevention of degradation phenomena in Li(Ni 0.8 Co 0.1 Mn 0.1 )O 2 cathode materials. Specifically, we have examined the effects of dopants on the suppression of oxygen evolution and cation disordering, as well as their correlation. It is found that Al doping can suppress the formation of oxygen vacancies effectively, while Mg doping prevents the cation disordering behaviors, i.e., excess Ni and Li/Ni exchange, and Ni migration. This study also demonstrates that formation of oxygen vacancies can facilitate the construction of the cation disordering, and vice versa. Delithiation can increase the probabilities of formation of all defect types, especially oxygen vacancies. When oxygen vacancies are present, Ni can migrate to the Li site during delithiation. However, Al and Mg doping can inhibit Ni migration, even in structures with preformed oxygen defects. The analysis of atomic charge variations during delithiation demonstrates that the degree of oxidation behavior in oxygen atoms is alleviated in the case of Al doping, indicating the enhanced oxygen stability in this structure. In addition, changes in the lattice parameters during delithiation are suppressed in the Mg-doped structure, which suggests that Mg doping may improve the lattice stability.

Carbon nanostructures modified LiFePO4 cathodes for lithium ion battery applications: optimized porosity and composition

NASA Astrophysics Data System (ADS)

Mahmoud, Lama; Singh Lalia, Boor; Hashaikeh, Raed

2016-12-01

Lithium iron phosphate (LiFePO4) battery cathode was fabricated without using any metallic current collector and polymeric binder. Carbon nanostructures (CNS) were used as microbinders for LiFePO4 particles and at the same time as a 3D current collector. A facile and cost effective method of fabricating composite cathodes of CNS and LiFePO4 was developed. Thick electrodes with high loading of active material (20-25 mg cm-2) were obtained that are almost 2-3 folds higher than commercial electrodes. SEM images confirm that the 3D CNS conductive network encapsulated the LiFePO4 particles homogenously facilitating the charge transfer at the electrode-CNS interface. The composition, scan rate and porosity of the paper-like cathode were sequentially varied and their influence was systematically monitored by means of linear sweep cyclic voltammetry and AC electrochemical impedance spectroscopy. Addition of CNS improved the electrode’s bulk electronic conductivity, mechanical integrity, surface area and double layer capacitance, yet compromised the charge transfer resistance at the electrode-electrolyte interface. Based on a range of the tested binder-free electrodes, this study proposes that electrodes with 20 wt% CNS having 49 ± 2.5% porosity had realized best improvements of two folds and four folds in the electronic conductivity and diffusion coefficient, respectively.

Development of surface functionalized ZnO-doped LiFePO4/C composites as alternative cathode material for lithium ion batteries

NASA Astrophysics Data System (ADS)

Saroha, Rakesh; Panwar, Amrish K.; Sharma, Yogesh; Tyagi, Pawan K.; Ghosh, Sudipto

2017-02-01

Surface modified olivine-type LiFePO4/C-ZnO doped samples were synthesized using sol-gel assisted ball-milling route. In this work, the influence of ZnO-doping on the physiochemical, electrochemical and surface properties such as charge separation at solid-liquid interphase, surface force gradient, surface/ionic conductivity of pristine LiFePO4/C (LFP) has been investigated thoroughly. Synthesized samples were characterized using X-ray diffraction, scanning electron microscopy, atomic force microscopy, and transmission electron microscopy. All the synthesized samples were indexed to the orthorhombic phase with Pnma space group. Pristine LiFePO4 retain its structure for higher ZnO concentrations (i.e. 2.5 and 5.0 wt.% of LFP). Surface topography and surface force gradient measurements by EFM revealed that the kinetics of charge carriers, e-/Li+ is more in ZnO-doped LFP samples, which may be attributed to diffusion or conduction process of the charges present at the surface. Among all the synthesized samples LFP/C with 2.5 wt.% of ZnO (LFPZ2.5) displays the highest discharge capacity at all C-rates and exhibit excellent rate performance. LFPZ2.5 delivers a specific discharge capacity of 164 (±3) mAh g-1 at 0.1C rate. LFPZ2.5 shows best cycling performance as it provides a discharge capacity of 135 (±3) mAh g-1 at 1C rate and shows almost 95% capacity retention after 50 charge/discharge cycles. Energy density plot shows that LFPZ2.5 offers high energy and power density measured at high discharge rates (5C), proving its usability for hybrid vehicles application.

Structural and Electrochemical Characteristics of Ca-Doped “Flower-like” Li 4Ti 5O 12 Motifs as High-Rate Anode Materials for Lithium-Ion Batteries

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

Wang, Lei; Zhang, Yiman; Guo, Haoyue

Doped motifs offer an intriguing structural pathway toward improving conductivity for battery applications. Specifically, Ca-doped, three-dimensional “flower-like” Li 4–xCa xTi 5O 12 (“x” = 0, 0.1, 0.15, and 0.2) micrometer-scale spheres have been successfully prepared for the first time using a simple and reproducible hydrothermal reaction followed by a short calcination process. The products were experimentally characterized by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) mapping, inductively coupled plasma optical emission spectrometry (ICP-OES), X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and galvanostatic charge–discharge testing. Calcium dopantmore » ions were shown to be uniformly distributed within the LTO structure without altering the underlying “flower-like” morphology. The largest lattice expansion and the highest Ti 3+ ratios were noted with XRD and XPS, respectively, whereas increased charge transfer conductivity and decreased Li +-ion diffusion coefficients were displayed in EIS for the Li 4–xCa xTi 5O 12 (“x” = 0.2) sample. The “x” = 0.2 sample yielded a higher rate capability, an excellent reversibility, and a superior cycling stability, delivering 151 and 143 mAh/g under discharge rates of 20C and 40C at cycles 60 and 70, respectively. In addition, a high cycling stability was demonstrated with a capacity retention of 92% after 300 cycles at a very high discharge rate of 20C. In addition, first-principles calculations based on density functional theory (DFT) were conducted with the goal of further elucidating and understanding the nature of the doping mechanism in this study. The DFT calculations not only determined the structure of the Ca-doped Li 4Ti 5O 12, which was found to be in accordance with the experimentally measured XPD pattern, but also

Structural and Electrochemical Characteristics of Ca-Doped “Flower-like” Li 4Ti 5O 12 Motifs as High-Rate Anode Materials for Lithium-Ion Batteries

DOE PAGES

Wang, Lei; Zhang, Yiman; Guo, Haoyue; ...

2018-01-22

Doped motifs offer an intriguing structural pathway toward improving conductivity for battery applications. Specifically, Ca-doped, three-dimensional “flower-like” Li 4–xCa xTi 5O 12 (“x” = 0, 0.1, 0.15, and 0.2) micrometer-scale spheres have been successfully prepared for the first time using a simple and reproducible hydrothermal reaction followed by a short calcination process. The products were experimentally characterized by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS) mapping, inductively coupled plasma optical emission spectrometry (ICP-OES), X-ray photoelectron spectroscopy (XPS), cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and galvanostatic charge–discharge testing. Calcium dopantmore » ions were shown to be uniformly distributed within the LTO structure without altering the underlying “flower-like” morphology. The largest lattice expansion and the highest Ti 3+ ratios were noted with XRD and XPS, respectively, whereas increased charge transfer conductivity and decreased Li +-ion diffusion coefficients were displayed in EIS for the Li 4–xCa xTi 5O 12 (“x” = 0.2) sample. The “x” = 0.2 sample yielded a higher rate capability, an excellent reversibility, and a superior cycling stability, delivering 151 and 143 mAh/g under discharge rates of 20C and 40C at cycles 60 and 70, respectively. In addition, a high cycling stability was demonstrated with a capacity retention of 92% after 300 cycles at a very high discharge rate of 20C. In addition, first-principles calculations based on density functional theory (DFT) were conducted with the goal of further elucidating and understanding the nature of the doping mechanism in this study. The DFT calculations not only determined the structure of the Ca-doped Li 4Ti 5O 12, which was found to be in accordance with the experimentally measured XPD pattern, but also

Humidity sensing properties of Al-doped zinc oxide coating films

NASA Astrophysics Data System (ADS)

Saidi, S. A.; Mamat, M. H.; Ismail, A. S.; Malek, M. F.; Yusoff, M. M.; Sin, N. D. Md.; Zoolfakar, A. S.; Khusaimi, Z.; Rusop, M.

2018-05-01

Humidity sensor was fabricated using Al-doped zinc oxide (ZnO) coating films through spin-coating at room temperature. The sensing mechanism was discussed based on their nanostructures, such as surface area and porous nanostructures. Surface area and water adsorption are an important component in the low humidity, while at high humidity, porous nanostructures and capillary condensation become important. The results showed that the sensitivity of the Al-doped ZnO coating improved compared to that of the Al-doped ZnO nanorod arrays, with values of 7.38 at 40% to 90%RH (Relative humidity). All these results indicated that Al-doped ZnO coating had high potential for humidity-sensor applications.

Li + Defects in a Solid-State Li Ion Battery: Theoretical Insights with a Li 3 OCl Electrolyte

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

Stegmaier, Saskia; Voss, Johannes; Reuter, Karsten

In a solid-state Li ion battery, the solid-state electrolyte exits principally in regions of high externally applied potentials, and this varies rapidly at the interfaces with electrodes due to the formation of electrochemical double layers. Here, we investigate the implications of these for a model solid-state Li ion battery Li|Li 3OCl|C, where C is simply a metallic intercalation cathode. We use DFT to calculate the potential dependence of the formation energies of the Li + charge carriers in superionic Li 3OCl. We find that Li+ vacancies are the dominant species at the cathode while Li+ interstitials dominate at the anode.more » With typical Mg aliovalent doping of Li 3OCl, Li + vacancies dominate the bulk of the electrolyte as well, with freely mobile vacancies only ~ 10 -4 of the Mg doping density at room temperature. We study the repulsive interaction between Li+ vacancies and find that this is extremely short range, typically only one lattice constant due to local structural relaxation around the vacancy and this is significantly shorter than pure electrostatic screening. We model a Li 3OCl- cathode interface by treating the cathode as a nearly ideal metal using a polarizable continuum model with an ε r = 1000. There is a large interface segregation free energy of ~ - 1 eV per Li + vacancy. Combined with the short range for repulsive interactions of the vacancies, this means that very large vacancy concentrations will build up in a single layer of Li 3OCl at the cathode interface to form a compact double layer. The calculated potential drop across the interface is ~ 3 V for a nearly full concentration of vacancies at the surface. This suggests that nearly all the cathode potential drop in Li 3OCl occurs at the Helmholtz plane rather than in a diffuse space-charge region. We suggest that the conclusions found here will be general to other superionic conductors as well.« less

Li + Defects in a Solid-State Li Ion Battery: Theoretical Insights with a Li 3 OCl Electrolyte

DOE PAGES

Stegmaier, Saskia; Voss, Johannes; Reuter, Karsten; ...

2017-04-26

In a solid-state Li ion battery, the solid-state electrolyte exits principally in regions of high externally applied potentials, and this varies rapidly at the interfaces with electrodes due to the formation of electrochemical double layers. Here, we investigate the implications of these for a model solid-state Li ion battery Li|Li 3OCl|C, where C is simply a metallic intercalation cathode. We use DFT to calculate the potential dependence of the formation energies of the Li + charge carriers in superionic Li 3OCl. We find that Li+ vacancies are the dominant species at the cathode while Li+ interstitials dominate at the anode.more » With typical Mg aliovalent doping of Li 3OCl, Li + vacancies dominate the bulk of the electrolyte as well, with freely mobile vacancies only ~ 10 -4 of the Mg doping density at room temperature. We study the repulsive interaction between Li+ vacancies and find that this is extremely short range, typically only one lattice constant due to local structural relaxation around the vacancy and this is significantly shorter than pure electrostatic screening. We model a Li 3OCl- cathode interface by treating the cathode as a nearly ideal metal using a polarizable continuum model with an ε r = 1000. There is a large interface segregation free energy of ~ - 1 eV per Li + vacancy. Combined with the short range for repulsive interactions of the vacancies, this means that very large vacancy concentrations will build up in a single layer of Li 3OCl at the cathode interface to form a compact double layer. The calculated potential drop across the interface is ~ 3 V for a nearly full concentration of vacancies at the surface. This suggests that nearly all the cathode potential drop in Li 3OCl occurs at the Helmholtz plane rather than in a diffuse space-charge region. We suggest that the conclusions found here will be general to other superionic conductors as well.« less

Towards High Capacity Li-ion Batteries Based on Silicon-Graphene Composite Anodes and Sub-micron V-doped LiFePO4 Cathodes

PubMed Central

Loveridge, M. J.; Lain, M. J.; Johnson, I. D.; Roberts, A.; Beattie, S. D.; Dashwood, R.; Darr, J. A.; Bhagat, R.

2016-01-01

Lithium iron phosphate, LiFePO4 (LFP) has demonstrated promising performance as a cathode material in lithium ion batteries (LIBs), by overcoming the rate performance issues from limited electronic conductivity. Nano-sized vanadium-doped LFP (V-LFP) was synthesized using a continuous hydrothermal process using supercritical water as a reagent. The atomic % of dopant determined the particle shape. 5 at. % gave mixed plate and rod-like morphology, showing optimal electrochemical performance and good rate properties vs. Li. Specific capacities of >160 mAh g−1 were achieved. In order to increase the capacity of a full cell, V-LFP was cycled against an inexpensive micron-sized metallurgical grade Si-containing anode. This electrode was capable of reversible capacities of approximately 2000 mAh g−1 for over 150 cycles vs. Li, with improved performance resulting from the incorporation of few layer graphene (FLG) to enhance conductivity, tensile behaviour and thus, the composite stability. The cathode material synthesis and electrode formulation are scalable, inexpensive and are suitable for the fabrication of larger format cells suited to grid and transport applications. PMID:27898104

Doping the alkali atom: an effective strategy to improve the electronic and nonlinear optical properties of the inorganic Al12N12 nanocage.

PubMed

Niu, Min; Yu, Guangtao; Yang, Guanghui; Chen, Wei; Zhao, Xingang; Huang, Xuri

2014-01-06

Under ab initio computations, several new inorganic electride compounds with high stability, M@x-Al12N12 (M = Li, Na, and K; x = b66, b64, and r6), were achieved for the first time by doping the alkali metal atom M on the fullerene-like Al12N12 nanocage, where the alkali atom is located over the Al-N bond (b66/b64 site) or six-membered ring (r6 site). It is revealed that independent of the doping position and atomic number, doping the alkali atom can significantly narrow the wide gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) (EH-L = 6.12 eV) of the pure Al12N12 nanocage in the range of 0.49-0.71 eV, and these doped AlN nanocages can exhibit the intriguing n-type characteristic, where a high energy level containing the excess electron is introduced as the new HOMO orbital in the original gap of pure Al12N12. Further, the diffuse excess electron also brings these doped AlN nanostructures the considerable first hyperpolarizabilities (β0), which are 1.09 × 10(4) au for Li@b66-Al12N12, 1.10 × 10(4), 1.62 × 10(4), 7.58 × 10(4) au for M@b64-Al12N12 (M = Li, Na, and K), and 8.89 × 10(5), 1.36 × 10(5), 5.48 × 10(4) au for M@r6-Al12N12 (M = Li, Na, and K), respectively. Clearly, doping the heavier Na/K atom over the Al-N bond can get the larger β0 value, while the reverse trend can be observed for the series with the alkali atom over the six-membered ring, where doping the lighter Li atom can achieve the larger β0 value. These fascinating findings will be advantageous for promoting the potential applications of the inorganic AlN-based nanosystems in the new type of electronic nanodevices and high-performance nonlinear optical (NLO) materials.

Enhanced Power Conversion Efficiency of Perovskite Solar Cells with an Up-Conversion Material of Er3+-Yb3+-Li+ Tri-doped TiO2

NASA Astrophysics Data System (ADS)

Zhang, Zhenlong; Qin, Jianqiang; Shi, Wenjia; Liu, Yanyan; Zhang, Yan; Liu, Yuefeng; Gao, Huiping; Mao, Yanli

2018-05-01

In this paper, Er3+-Yb3+-Li+ tri-doped TiO2 (UC-TiO2) was prepared by an addition of Li+ to Er3+-Yb3+ co-doped TiO2. The UC-TiO2 presented an enhanced up-conversion emission compared with Er3+-Yb3+ co-doped TiO2. The UC-TiO2 was applied to the perovskite solar cells. The power conversion efficiency (PCE) of the solar cells without UC-TiO2 was 14.0%, while the PCE of the solar cells with UC-TiO2 was increased to 16.5%, which presented an increase of 19%. The results suggested that UC-TiO2 is an effective up-conversion material. And this study provided a route to expand the spectral absorption of perovskite solar cells from visible light to near-infrared using up-conversion materials.

Enhanced Power Conversion Efficiency of Perovskite Solar Cells with an Up-Conversion Material of Er3+-Yb3+-Li+ Tri-doped TiO2.

PubMed

Zhang, Zhenlong; Qin, Jianqiang; Shi, Wenjia; Liu, Yanyan; Zhang, Yan; Liu, Yuefeng; Gao, Huiping; Mao, Yanli

2018-05-11

In this paper, Er 3+ -Yb 3+ -Li + tri-doped TiO 2 (UC-TiO 2 ) was prepared by an addition of Li + to Er 3+ -Yb 3+ co-doped TiO 2 . The UC-TiO 2 presented an enhanced up-conversion emission compared with Er 3+ -Yb 3+ co-doped TiO 2 . The UC-TiO 2 was applied to the perovskite solar cells. The power conversion efficiency (PCE) of the solar cells without UC-TiO 2 was 14.0%, while the PCE of the solar cells with UC-TiO 2 was increased to 16.5%, which presented an increase of 19%. The results suggested that UC-TiO 2 is an effective up-conversion material. And this study provided a route to expand the spectral absorption of perovskite solar cells from visible light to near-infrared using up-conversion materials.

Effects of Ca/Sr ratio control on optical and scintillation properties of Eu-doped Li(Ca,Sr)AlF6 single crystals

NASA Astrophysics Data System (ADS)

Yokota, Yuui; Tanaka, Chieko; Kurosawa, Shunsuke; Yamaji, Akihiro; Ohashi, Yuji; Kamada, Kei; Nikl, Martin; Yoshikawa, Akira

2018-05-01

Eu-doped Li(Ca,Sr)AlF6 [Eu:LiCSAF] single crystals with various Ca/Sr ratios were grown by the micro-pulling-down method, and their optical and scintillation properties were investigated to reveal the effects of Ca/Sr ratio on optical and scintillation properties of the Eu:LiCSAF single crystals. The Li(Ca1-x-ySrxEuy)AlF6 single crystals could be grown in 0 ≤ x ≤ 0.1, 0.5 ≤ x ≤ 1.0 and y = 0.02 while the Eu:LiCSAF crystals with x = 0.2, 0.25 and 0.4 included two colquiriite-type phases with different lattice parameters. The Li(Ca1-x-ySrxEuy)AlF6 single crystal with x = 0.25 and y = 0.02 showed the highest light yield under neutron irradiation.

Structural and electrochemical properties of Gd-doped Li4Ti5O12 as anode material with improved rate capability for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Qianyu; Verde, Michael G.; Seo, Joon Kyo; Li, Xi; Meng, Y. Shirley

2015-04-01

Pristine and Gd-doped Li4Ti5O12 (LTO) in the form of Li4-x/3Ti5-2x/3GdxO12 (x = 0.05, 0.10 and 0.15) were prepared by a simple solid-state reaction in air. The structural and electrochemical properties of the as-prepared powders were characterized using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). XRD revealed that only a small amount of the dopant can enter the lattice structure of LTO; excessive addition beyond x = 0.10 resulted in a discrete Gd2O3 impurity phase. The Gd doping did not change the spinel structure and electrochemical reaction process of LTO. The average particle size of as-prepared samples ranged between 0.5 and 1.5 μm. The Gd-doped materials showed much improved rate capability and specific capacity compared with undoped LTO. In particular, Li4-x/3Ti5-2x/3GdxO12 (x = 0.5) exhibited the best rate capability and cycling stability among all samples. Beyond this doping level, however, Gd2O3 impurity phase in the LTO led to adverse electrochemical performance. The rate capability of the anode material made from the modified powder is significantly improved when discharged at high current rates due to the reduced charge transfer resistance and fast lithium insertion/extraction kinetics.

Structure of spin excitations in heavily electron-doped Li 0.8Fe 0.2ODFeSe superconductors

DOE PAGES

Pan, Bingying; Shen, Yao; Hu, Die; ...

2017-07-25

Heavily electron-doped iron-selenide high-transition-temperature (high-T c) superconductors, which have no hole Fermi pockets, but have a notably high T c, have challenged the prevailing s± pairing scenario originally proposed for iron pnictides containing both electron and hole pockets. The microscopic mechanism underlying the enhanced superconductivity in heavily electron-doped iron-selenide remains unclear. Here, we used neutron scattering to study the spin excitations of the heavily electron-doped iron-selenide material Li 0.8Fe 0.2ODFeSe (T c = 41 K). Our data revealed nearly ring-shaped magnetic resonant excitations surrounding (π, π) at ~21 meV. As the energy increased, the spin excitations assumed a diamond shape,more » and they dispersed outward until the energy reached ~60 meV and then inward at higher energies. The observed energy-dependent momentum structure and twisted dispersion of spin excitations near (π, π) are analogous to those of hole-doped cuprates in several aspects, thus implying that such spin excitations are essential for the remarkably high T c in these materials.« less

Fabrication of smart chemical sensors based on transition-doped-semiconductor nanostructure materials with µ-chips.

PubMed

Rahman, Mohammed M; Khan, Sher Bahadar; Asiri, Abdullah M

2014-01-01

Transition metal doped semiconductor nanostructure materials (Sb2O3 doped ZnO microflowers, MFs) are deposited onto tiny µ-chip (surface area, ∼0.02217 cm(2)) to fabricate a smart chemical sensor for toxic ethanol in phosphate buffer solution (0.1 M PBS). The fabricated chemi-sensor is also exhibited higher sensitivity, large-dynamic concentration ranges, long-term stability, and improved electrochemical performances towards ethanol. The calibration plot is linear (r(2) = 0.9989) over the large ethanol concentration ranges (0.17 mM to 0.85 M). The sensitivity and detection limit is ∼5.845 µAcm(-2)mM(-1) and ∼0.11±0.02 mM (signal-to-noise ratio, at a SNR of 3) respectively. Here, doped MFs are prepared by a wet-chemical process using reducing agents in alkaline medium, which characterized by UV/vis., FT-IR, Raman, X-ray photoelectron spectroscopy (XPS), powder X-ray diffraction (XRD), and field-emission scanning electron microscopy (FE-SEM) etc. The fabricated ethanol chemical sensor using Sb2O3-ZnO MFs is simple, reliable, low-sample volume (<70.0 µL), easy of integration, high sensitivity, and excellent stability for the fabrication of efficient I-V sensors on μ-chips.

Fabrication of Smart Chemical Sensors Based on Transition-Doped-Semiconductor Nanostructure Materials with µ-Chips

PubMed Central

Rahman, Mohammed M.; Khan, Sher Bahadar; Asiri, Abdullah M.

2014-01-01

Transition metal doped semiconductor nanostructure materials (Sb2O3 doped ZnO microflowers, MFs) are deposited onto tiny µ-chip (surface area, ∼0.02217 cm2) to fabricate a smart chemical sensor for toxic ethanol in phosphate buffer solution (0.1 M PBS). The fabricated chemi-sensor is also exhibited higher sensitivity, large-dynamic concentration ranges, long-term stability, and improved electrochemical performances towards ethanol. The calibration plot is linear (r2 = 0.9989) over the large ethanol concentration ranges (0.17 mM to 0.85 M). The sensitivity and detection limit is ∼5.845 µAcm−2mM−1 and ∼0.11±0.02 mM (signal-to-noise ratio, at a SNR of 3) respectively. Here, doped MFs are prepared by a wet-chemical process using reducing agents in alkaline medium, which characterized by UV/vis., FT-IR, Raman, X-ray photoelectron spectroscopy (XPS), powder X-ray diffraction (XRD), and field-emission scanning electron microscopy (FE-SEM) etc. The fabricated ethanol chemical sensor using Sb2O3-ZnO MFs is simple, reliable, low-sample volume (<70.0 µL), easy of integration, high sensitivity, and excellent stability for the fabrication of efficient I–V sensors on μ-chips. PMID:24454785

Superconductivity in Li-intercalated bilayer arsenene and hole-doped monolayer arsenene: a first-principles prediction

NASA Astrophysics Data System (ADS)

Chen, Jianyong; Ge, Yanfeng; Zhou, Wenzhe; Peng, Mengqi; Pan, Jiangling; Ouyang, Fangping

2018-06-01

Using first-principles calculations, we find Li-intercalated bilayer arsenene with AB stacking is dynamically stable, which is different from pristine bilayer with AA stacking. Electron–phonon coupling of the stable Li-intercalated bilayer arsenene are dominated by the low frequency vibrational modes (E″(1), (1), E‧(1) and acoustic modes) and lead to an superconductivity with T c  =  8.68 K with isotropical Eliashberg function. Small biaxial tensile strain (2%) can improve T c to 11.22 K due to the increase of DOS and phonon softening. By considering the fully anisotropic Migdal–Eliashberg theory, T c are found to be enhanced by 50% and exhibits a single anisotropic gap nature. In addition, considering its nearly flat top valence band which is favorable for high temperature superconductivity, we also explore the superconducting properties of hole-doped monolayer arsenene under different strains. the unstrained monolayer arsenene superconducts at T c  =  0.22 K with 0.1 hole/cell doping. By applying 3% biaxial strain, T c can be lifted up strikingly to 6.69 K due to a strong Fermi nesting of the nearly flat band. Then T c decreases slowly with strain. Our findings provide another insight to realize 2D superconductivity and suggest that the strain is crucial to further enhance the transition temperature.

Anode property of carbon coated LiFePO4 nanocrystals

NASA Astrophysics Data System (ADS)

Ni, Jiangfeng; Jiang, Jiaxing; Savilov, S. V.; Aldoshin, S. M.

2016-10-01

Nanostructured LiFePO4 is appealing cathode material for rechargeable lithium batteries. Herein, however, we report the intriguing anode properties of carbon coated LiFePO4 nanocrystals. In the potential range of 0-3.0 V, the LiFePO4 nanocrystal electrodes afford high reversible capacity of 373 mAhg-1 at a current rate of 0.05 Ag-1 and retains 239 mAhg-1 at a much higher rate of 1.25 Ag-1. In addition, it is capable of sustaining 1000 cycles at 1.25 Ag-1 without any capacity fading. Such superior properties indicate that nanostructured LiFePO4 could also be promising anode for rechargeable battery applications.

The effect of cobalt doping on the morphology and electrochemical performance of high-voltage spinel LiNi 0.5Mn 1.5O 4 cathode material

DOE PAGES

Mao, Jing; Ma, Mengze; Liu, Panpan; ...

2016-06-03

In this paper, to reveal the effects of Co-doping on the electrochemical performance of micro-sized LiNi 0.5Mn 1.5O 4 (LNMO), undoped LNMO and Co-doped LiCo 0.1Ni 0.45Mn 1.45O 4 (LCoNMO) are synthesized via a PVP-combustion method and calcined at 1000 °C for 6 h. SEM and XRD analyses suggest that Co-doping decreases the particle size and the Li zNi 1-zO 2 impurity at the calcination temperature of 1000 °C. LCoNMO has much better rate capability while its specific capacity at C/5 is 10% lower than that of LNMO. At 15 C rate, their specific capacities are closed, and the LCoNMOmore » delivers 86.2% capacity relative to C/5, and this value for LNMO is only 77.0%. The D Li + values determined by potential intermittent titration technique (PITT) test of LCoNMO are 1–2 times higher than that of LNMO in most SOC region. The LCoNMO shows very excellent cycling performance, which is the best value compared with literatures. After 1000 cycles, the LCoNMO still delivers 94.1% capacity. Finally, moreover, its coulombic efficiency and energy efficiency keep at 99.84% and over 97.3% during 1 C cycling, respectively.« less

The effect of cobalt doping on the morphology and electrochemical performance of high-voltage spinel LiNi 0.5Mn 1.5O 4 cathode material

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

Mao, Jing; Ma, Mengze; Liu, Panpan

In this paper, to reveal the effects of Co-doping on the electrochemical performance of micro-sized LiNi 0.5Mn 1.5O 4 (LNMO), undoped LNMO and Co-doped LiCo 0.1Ni 0.45Mn 1.45O 4 (LCoNMO) are synthesized via a PVP-combustion method and calcined at 1000 °C for 6 h. SEM and XRD analyses suggest that Co-doping decreases the particle size and the Li zNi 1-zO 2 impurity at the calcination temperature of 1000 °C. LCoNMO has much better rate capability while its specific capacity at C/5 is 10% lower than that of LNMO. At 15 C rate, their specific capacities are closed, and the LCoNMOmore » delivers 86.2% capacity relative to C/5, and this value for LNMO is only 77.0%. The D Li + values determined by potential intermittent titration technique (PITT) test of LCoNMO are 1–2 times higher than that of LNMO in most SOC region. The LCoNMO shows very excellent cycling performance, which is the best value compared with literatures. After 1000 cycles, the LCoNMO still delivers 94.1% capacity. Finally, moreover, its coulombic efficiency and energy efficiency keep at 99.84% and over 97.3% during 1 C cycling, respectively.« less

Morphological and Electrochemical Characterization of Nanostructured Li 4Ti 5O 12 Electrodes Using Multiple Imaging Mode Synchrotron X-ray Computed Tomography

DOE PAGES

Kashkooli, Ali Ghorbani; Foreman, Evan; Farhad, Siamak; ...

2017-09-21

In this study, synchrotron X-ray computed tomography has been utilized using two different imaging modes, absorption and Zernike phase contrast, to reconstruct the real three-dimensional (3D) morphology of nanostructured Li 4Ti 5O 12 (LTO) electrodes. The morphology of the high atomic number active material has been obtained using the absorption contrast mode, whereas the percolated solid network composed of active material and carbon-doped polymer binder domain (CBD) has been obtained using the Zernike phase contrast mode. The 3D absorption contrast image revealed that some LTO nano-particles tend to agglomerate and form secondary micro-sized particles with varying degrees of sphericity. Themore » tortuosity of electrode’s pore and solid phases were found to have directional dependence, different from Bruggeman’s tortuosity commonly used in macro-homogeneous models. The electrode’s heterogeneous structure was investigated by developing a numerical model to simulate galvanostatic discharge process using the Zernike phase contrast mode. The inclusion of CBD in the Zernike phase contrast results in an integrated percolated network of active material and CBD that is highly suited for continuum modeling. As a result, the simulation results highlight the importance of using the real 3D geometry since the spatial distribution of physical and electrochemical properties have a strong non-uniformity due to microstructural heterogeneities.« less

Nanostructured N-doped orthorhombic Nb2O5 as an efficient stable photocatalyst for hydrogen generation under visible light.

PubMed

Kulkarni, Aniruddha K; Praveen, C S; Sethi, Yogesh A; Panmand, Rajendra P; Arbuj, Sudhir S; Naik, Sonali D; Ghule, Anil V; Kale, Bharat B

2017-11-07

The synthesis of orthorhombic nitrogen-doped niobium oxide (Nb 2 O 5-x N x ) nanostructures was performed and a photocatalytic study carried out in their use in the conversion of toxic H 2 S and water into hydrogen under UV-Visible light. Nanostructured orthorhombic Nb 2 O 5-x N x was synthesized by a simple solid-state combustion reaction (SSCR). The nanostructural features of Nb 2 O 5-x N x were examined by FESEM and HRTEM, which showed they had a porous chain-like structure, with chains interlocked with each other and with nanoparticles sized less than 10 nm. Diffuse reflectance spectra depicted their extended absorbance in the visible region with a band gap of 2.4 eV. The substitution of nitrogen in place of oxygen atoms as well as Nb-N bond formation were confirmed by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. A computational study (DFT) of Nb 2 O 5-x N x was also performed for investigation and conformation of the crystal and electronic structure. N-Substitution clearly showed a narrowing of the band gap due to N 2p bands cascading above the O 2p band. Considering the band gap in the visible region, Nb 2 O 5-x N x exhibited enhanced photocatalytic activity toward hydrogen evolution (3010 μmol h -1 g -1 ) for water splitting and (9358 μmol h -1 g -1 ) for H 2 S splitting under visible light. The enhanced photocatalytic activity of Nb 2 O 5-x N x was attributed to its extended absorbance in the visible region due to its electronic structure being modified upon doping, which in turn generates more electron-hole pairs, which are responsible for higher H 2 generation. More significantly, the mesoporous nanostructure accelerated the supression of electron and hole recombination, which also contributed to the enhancement of its activity.

Structurally controllable spin spatial splitter in a hybrid ferromagnet and semiconductor nanostructure

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

Lu, Mao-Wang, E-mail: maowanglu@126.com; Cao, Xue-Li; Huang, Xin-Hong

2014-05-07

We theoretically investigate modulation of a tunable δ-potential to the lateral displacement of electrons across a magnetically modulated semiconductor nanostructure. Experimentally, this nanostructure can be produced by depositing a nanosized ferromagnetic stripe with in-plane magnetization on top of a semiconductor heterostructure, while the δ-potential can be realized by means of the atomic layer doping technique. Theoretical analysis reveals that this δ-doping can break the intrinsic symmetry in nanostructure and a considerable spin polarization in the lateral displacement will appear. Numerical calculations demonstrate that both magnitude and sign of spin polarization can be manipulated by changing the height and/or position ofmore » the δ-doping, giving rise to a structurally tunable spin spatial splitter.« less

Vertically aligned nanostructure scanning probe microscope tips

DOEpatents

Guillorn, Michael A.; Ilic, Bojan; Melechko, Anatoli V.; Merkulov, Vladimir I.; Lowndes, Douglas H.; Simpson, Michael L.

2006-12-19

Methods and apparatus are described for cantilever structures that include a vertically aligned nanostructure, especially vertically aligned carbon nanofiber scanning probe microscope tips. An apparatus includes a cantilever structure including a substrate including a cantilever body, that optionally includes a doped layer, and a vertically aligned nanostructure coupled to the cantilever body.

To study the effect of doping concentration of silver on structural and optical properties of cadmium oxide (CdO) nanostructure

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

Kumar, Rajesh, E-mail: rkkaushik06@gmail.com; Dept. of Physics, Vaish College of Engineering, Rohtak-124001, Haryana; Sharma, Ashwani

The present work deals with study of structural and optical properties of Silver (Ag) doped Cadmium oxide (CdO) nanostructured synthesized by Chemical Co-precipitation Techniques followed by calcinations at small temperature. The doping concentrations were changing from 0.1 to 10 at% respectively. Structural analysis study of these calcined materials is carried out by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The optical properties of calcined samples were investigating by Fourier transformation infrared (FTIR)spectroscopy, UV-Visible Spectroscopy (UV-Vis). The structural properties analysis results revels that crystallite size are in the range of nano region and TEM results aremore » quite in accordance with XRD results.« less

Facile Synthesis of Carbon-Coated Spinel Li4Ti5O12/Rutile-TiO2 Composites as an Improved Anode Material in Full Lithium-Ion Batteries with LiFePO4@N-Doped Carbon Cathode.

PubMed

Wang, Ping; Zhang, Geng; Cheng, Jian; You, Ya; Li, Yong-Ke; Ding, Cong; Gu, Jiang-Jiang; Zheng, Xin-Sheng; Zhang, Chao-Feng; Cao, Fei-Fei

2017-02-22

The spinel Li 4 Ti 5 O 12 /rutile-TiO 2 @carbon (LTO-RTO@C) composites were fabricated via a hydrothermal method combined with calcination treatment employing glucose as carbon source. The carbon coating layer and the in situ formed rutile-TiO 2 can effectively enhance the electric conductivity and provide quick Li + diffusion pathways for Li 4 Ti 5 O 12 . When used as an anode material for lithium-ion batteries, the rate capability and cycling stability of LTO-RTO@C composites were improved in comparison with those of pure Li 4 Ti 5 O 12 or Li 4 Ti 5 O 12 /rutile-TiO 2 . Moreover, the potential of approximately 1.8 V rechargeable full lithium-ion batteries has been achieved by utilizing an LTO-RTO@C anode and a LiFePO 4 @N-doped carbon cathode.

A DFT study of pure and lithium doped gold clusters

NASA Astrophysics Data System (ADS)

Rani, Babita

2018-05-01

First principles calculations on Aun and Aun-1Li (n=1-6) clusters are performed to understand the effect of size and composition on their structural and energy parameters. It has been found that binding energy increases continuously with increase in the size of pure Aun and doped Aun-1Li clusters and attains its maximum at n=6. Also, Li doping results in the improvement of relative stabilities of pure gold clusters, owing to higher bond strength (i.e. shorter bond length) of Au- Li bond as compared to Au-Au bonds. Moreover, Aun-1Li clusters are found to be more compact. Structural transformations are observed in case of gold clusters doped with Li atom which may affect their application in the field of catalysis.

Enhanced photoluminescence and Raman properties of Al-Doped ZnO nanostructures prepared using thermal chemical vapor deposition of methanol assisted with heated brass.

PubMed

Thandavan, Tamil Many K; Gani, Siti Meriam Abdul; San Wong, Chiow; Md Nor, Roslan

2015-01-01

Vapor phase transport (VPT) assisted by mixture of methanol and acetone via thermal evaporation of brass (CuZn) was used to prepare un-doped and Al-doped zinc oxide (ZnO) nanostructures (NSs). The structure and morphology were characterized by field emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). Photoluminescence (PL) properties of un-doped and Al-doped ZnO showed significant changes in the optical properties providing evidence for several types of defects such as zinc interstitials (Zni), oxygen interstitials (Oi), zinc vacancy (Vzn), singly charged zinc vacancy (VZn-), oxygen vacancy (Vo), singly charged oxygen vacancy (Vo+) and oxygen anti-site defects (OZn) in the grown NSs. The Al-doped ZnO NSs have exhibited shifted PL peaks at near band edge (NBE) and red luminescence compared to the un-doped ZnO. The Raman scattering results provided evidence of Al doping into the ZnO NSs due to peak shift from 145 cm-1 to an anomalous peak at 138 cm-1. Presence of enhanced Raman signal at around 274 and 743 cm-1 further confirmed Al in ZnO NSs. The enhanced D and G band in all Al-doped ZnO NSs shows possible functionalization and doping process in ZnO NSs.

Effect of Nb and F co-doping on Li1.2Mn0.54Ni0.13Co0.13O2 cathode material for high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Ming, Lei; Zhang, Bao; Cao, Yang; Zhang, Jia-Feng; Wang, Chun-Hui; Wang, Xiao-Wei; Li, Hui

2018-04-01

The Li1.2Mn0.54-xNbxCo0.13Ni0.13O2-6xF6x (x=0, 0.01, 0.03, 0.05) is prepared by traditional solid-phase method, and the Nb and F ions have been successfully doped into Mn and O sites of layered materials Li1.2Mn0.54Co0.13Ni0.13O2, respectively. The incorporating Nb ion in Mn site could effectively restrain the migration of transtion metal ions during long-term cycling, and keep the stability of the crystal structure. The Li1.2Mn0.54-xNbxCo0.13Ni0.13O2-6xF6x shows suppressed voltage fade and higher capacity retention of 98.1 after 200 cycles at rate of 1 C. The replacement of O2- by the strongly electronegative F- was beneficial for suppressed the structure change of Li2MnO3 from the eliminating of oxygen in initial charge process. Therefore, the initial coulomb efficiency of doped Li1.2Mn0.54-xNbxCo0.13Ni0.13O2-6xF6x gets improved, which is higher than that of pure Li1.2Mn0.54Co0.13Ni0.13O2. In addition, the Nb and F co-doping could effectively enhance the transfer of lithium-ion and electrons, and thus improving rate performance.

A study of suppressed formation of low-conductivity phases in doped Li 7La 3Zr 2O 12 garnets by in situ neutron diffraction

DOE PAGES

Chen, Yan; Rangasamy, Ezhiylmurugan; dela Cruz, Clarina R.; ...

2015-09-28

Doped Li 7La 3Zr 2O 12 garnets, oxide-based solids with good Li + conductivity and compatibility, show great potential as leading electrolyte material candidates for all-solid-state lithium ion batteries. Still yet, the conductive bulk usually suffers from the presence of secondary phases and the transition towards a low-conductivity tetragonal phase during synthesis. Dopants are designed to stabilize the high-conductive cubic phase and suppress the formation of the low-conductivity phases. In situ neutron diffraction enables a direct observation of the doping effects by monitoring the phase evolutions during garnet synthesis. It reveals the reaction mechanism involving the temporary presence of intermediatemore » phases. The off-stoichiometry due to the liquid Li 2CO 3 evaporation leads to the residual of the low-conductivity intermediate phase in the as-synthesized bulk. Appropriate doping of an active element may alter the component of the intermediate phases and promote the completion of the reaction. While the dopants aid to stabilize most of the cubic phase, a small amount of tetragonal phase tends to form under a diffusion process. Lastly, the in situ observations provide the guideline of process optimization to suppress the formation of unwanted low-conductivity phases.« less

Ultra-high Strength Nanostructured Mg

DTIC Science & Technology

2014-03-31

27709-2211 Nanostructured Mg and Mg alloys, Mg metallic glass, Cryomilling, Powder consolidation, Spark plasma sintering , Deformation mechanisms REPORT...mechanically milled powder and high pressure on spark plasma sintering of Mg-Cu-Gd metallic glasses; (9) microstructure and mechanical behavior of Mg-10Li-3Al...pressure on spark plasma sintering of Mg– Cu–Gd metallic glasses, Acta Materialia , (07 2013): 4414. doi: Baolong Zheng, Ying Li, Weizong Xu

High-Capacity Mg-Organic Batteries Based on Nanostructured Rhodizonate Salts Activated by Mg-Li Dual-Salt Electrolyte.

PubMed

Tian, Jing; Cao, Dunping; Zhou, Xuejun; Hu, Jiulin; Huang, Minsong; Li, Chilin

2018-04-24

A magnesium battery is a promising candidate for large-scale transportation and stationary energy storage due to the security, low cost, abundance, and high volumetric energy density of a Mg anode. But there are still some obstacles retarding the wide application of Mg batteries, including poor kinetics of Mg-ion transport in lattices and low theoretical capacity in inorganic frameworks. A Mg-Li dual-salt electrolyte enables kinetic activation by dominant intercalation of Li-ions instead of Mg-ions in cathode lattices without the compromise of a stable Mg anode process. Here we propose a Mg-organic battery based on a renewable rhodizonate salt ( e. g., Na 2 C 6 O 6 ) activated by a Mg-Li dual-salt electrolyte. The nanostructured organic system can achieve a high reversible capacity of 350-400 mAh/g due to the existence of high-density carbonyl groups (C═O) as redox sites. Nanocrystalline Na 2 C 6 O 6 wired by reduced graphene oxide enables a high-rate performance of 200 and 175 mAh/g at 2.5 (5 C) and 5 A/g (10 C), respectively, which also benefits from a high intrinsic diffusion coefficient (10 -12 -10 -11 cm 2 /s) and pesudocapacitance contribution (>60%) of Na 2 C 6 O 6 for Li-Mg co-intercalation. The suppressed exfoliation of C 6 O 6 layers by a firmer non-Li pinning via Na-O-C or Mg-O-C and a dendrite-resistive Mg anode lead to a long-term cycling for at least 600 cycles. Such an extraordinary capacity/rate performance endows the Mg-Na 2 C 6 O 6 system with high energy and power densities up to 525 Wh/kg and 4490 W/kg (based on active cathode material), respectively, exceeding the level of high-voltage insertion cathodes with typical inorganic structures.

High capacity and stability of Nb-doped Li3VO4 as an anode material for lithium ion batteries

NASA Astrophysics Data System (ADS)

Zhao, Long; Duan, He; Zhao, Yanming; Kuang, Quan; Fan, Qinghua; Chen, Lei; Dong, Youzhong

2018-02-01

To improve the electrochemical performance of Li3VO4, a series of Li3NbxV1-xO4 compounds are prepared via sol-gel method. The similar ionic radii of Nb5+ and V5+ in octahedral coordination make it possible to form single-phased Li3NbxV1-xO4 (0 ≤ x ≤ 0.15). Theoretical calculations show that Li-ions migrate along the c-axis diffusion channel in a curved hopping route. The larger lattice constant caused by the substitution of V with Nb enhances the cross-sectional area, which indirectly provides a higher diffusion coefficient for Li-ion migration. Benefitting from high electronic conductivity (around two orders of magnitude) and good lithium-ion diffusion coefficient, the Li3NbxV1-xO4 (x = 0.02) exhibits the best electrochemical property as an anode of LIBs in comparison to other Li3NbxV1-xO4(x = 0, 0.01, 0.03, 0.04). At the current density of 30 mA g-1, the charge capacity of pure Li3VO4 is around 440 mA h g-1, whereas the Li3NbxV1-xO4 (x = 0.02) shows a higher capacity of 550 mA h g-1. Additionally, the charge/discharge capacities for Nb-doped samples are almost twice to those of the undoped Li3VO4 when the current density increases to1500 mA g-1.

Recombination luminescence from electron-irradiated Li-diffused Si

NASA Technical Reports Server (NTRS)

Johnson, E. S.; Compton, W. D.; Noonan, J. R.; Streetman, B. G.

1973-01-01

Lithium doping has a dramatic effect on the low-temperature photoluminescence of electron-irradiated Si. In oxigen-lean Si with Li doping, a new irradiation-dependent luminescence band between 0.75 and 1.05 eV is observed, which is dominated by a zero-phonon peak at 1.045 eV. This band is believed to be due to radiative transitions involving a Li-modified divacancy. This band is present also in oxygen-rich, Li-diffused Si and is accompanied by bands previously related to the Si-G15(K) center and the divacancy. The intensities of the Li-modified divacancy and Si-G15(K) center bands are relatively weak in the oxygen-rich material, apparently due to the formation of lithium-oxygen complexes which reduce the concentration of unassociated interstitial Li and O.

Fluorine-doped antiperovskite electrolyte for all-solid-state Lithium-ion batteries

DOE PAGES

Li, Yutao; Zhou, Weidong; Xin, Sen; ...

2016-06-30

A fluorine-doped antiperovskite Li-ion conducto Li 2(OH)X (X=Cl, Br) is shown to be a promising candidat for a solid electrolyte in an all-solid-state Li-ion rechargeabl battery. Substitution of F¯ for OH¯ transforms orthorhombi Li 2OHCl to a room-temperature cubic phase, which show electrochemical stability to 9 V versus Li +/Li and two orders o magnitude higher Li-ion conductivity than that of orthorhombi Li 2OHCl. As a result, an all-solid-state Li/LiFePO 4 with F-dope Li 2OHCl as the solid electrolyte showed good cyclability an a high coulombic efficiency over 40 charge/discharge cycles

Non-aqueous solution preparation of doped and undoped Li{sub x}Mn{sub y}O{sub z}

DOEpatents

Boyle, T.J.; Voigt, J.A.

1997-05-20

A method is described for generation of phase-pure doped and undoped Li{sub x}Mn{sub y}O{sub z} precursors. The method of this invention uses organic solutions instead of aqueous solutions or nonsolution ball milling of dry powders to produce phase-pure precursors. These precursors can be used as cathodes for lithium-polymer electrolyte batteries. Dopants may be homogeneously incorporated to alter the characteristics of the powder. 1 fig.

Verifying the Rechargeability of Li-CO2 Batteries on Working Cathodes of Ni Nanoparticles Highly Dispersed on N-Doped Graphene.

PubMed

Zhang, Zhang; Wang, Xin-Gai; Zhang, Xu; Xie, Zhaojun; Chen, Ya-Nan; Ma, Lipo; Peng, Zhangquan; Zhou, Zhen

2018-02-01

Li-CO 2 batteries could skillfully combine the reduction of "greenhouse effect" with energy storage systems. However, Li-CO 2 batteries still suffer from unsatisfactory electrochemical performances and their rechargeability is challenged. Here, it is reported that a composite of Ni nanoparticles highly dispersed on N-doped graphene (Ni-NG) with 3D porous structure, exhibits a superior discharge capacity of 17 625 mA h g -1 , as the air cathode for Li-CO 2 batteries. The batteries with these highly efficient cathodes could sustain 100 cycles at a cutoff capacity of 1000 mA h g -1 with low overpotentials at the current density of 100 mA g -1 . Particularly, the Ni-NG cathodes allow to observe the appearance/disappearance of agglomerated Li 2 CO 3 particles and carbon thin films directly upon discharge/charge processes. In addition, the recycle of CO 2 is detected through in situ differential electrochemical mass spectrometry. This is a critical step to verify the electrochemical rechargeability of Li-CO 2 batteries. Also, first-principles computations further prove that Ni nanoparticles are active sites for the reaction of Li and CO 2 , which could guide to design more advantageous catalysts for rechargeable Li-CO 2 batteries.

Rapid Synthesis and Formation Mechanism of Core-Shell-Structured La-Doped SrTiO3 with a Nb-Doped Shell

PubMed Central

Park, Nam-Hee; Akamatsu, Takafumi; Itoh, Toshio; Izu, Noriya; Shin, Woosuck

2015-01-01

To provide a convenient and practical synthesis process for metal ion doping on the surface of nanoparticles in an assembled nanostructure, core-shell-structured La-doped SrTiO3 nanocubes with a Nb-doped surface layer were synthesized via a rapid synthesis combining a rapid sol-precipitation and hydrothermal process. The La-doped SrTiO3 nanocubes were formed at room temperature by a rapid dissolution of NaOH pellets during the rapid sol-precipitation process, and the Nb-doped surface (shell) along with Nb-rich edges formed on the core nanocubes via the hydrothermal process. The formation mechanism of the core-shell-structured nanocubes and their shape evolution as a function of the Nb doping level were investigated. The synthesized core-shell-structured nanocubes could be arranged face-to-face on a SiO2/Si substrate by a slow evaporation process, and this nanostructured 10 μm thick thin film showed a smooth surface. PMID:28793420

Effect of Nb and F Co-doping on Li1.2Mn0.54Ni0.13Co0.13O2 Cathode Material for High-Performance Lithium-Ion Batteries

PubMed Central

Ming, Lei; Zhang, Bao; Cao, Yang; Zhang, Jia-Feng; Wang, Chun-Hui; Wang, Xiao-Wei; Li, Hui

2018-01-01

The Li1.2Mn0.54−xNbxCo0.13Ni0.13O2−6xF6x (x = 0, 0.01, 0.03, 0.05) is prepared by traditional solid-phase method, and the Nb and F ions are successfully doped into Mn and O sites of layered materials Li1.2Mn0.54Co0.13Ni0.13O2, respectively. The incorporating Nb ion in Mn site can effectively restrain the migration of transition metal ions during long-term cycling, and keep the stability of the crystal structure. The Li1.2Mn0.54−xNbxCo0.13Ni0.13O2−6xF6x shows suppressed voltage fade and higher capacity retention of 98.1% after 200 cycles at rate of 1 C. The replacement of O2− by the strongly electronegative F− is beneficial for suppressed the structure change of Li2MnO3 from the eliminating of oxygen in initial charge process. Therefore, the initial coulombic efficiency of doped Li1.2Mn0.54−xNbxCo0.13Ni0.13O2−6xF6x gets improved, which is higher than that of pure Li1.2Mn0.54Co0.13Ni0.13O2. In addition, the Nb and F co-doping can effectively enhance the transfer of lithium-ion and electrons, and thus improving rate performance. PMID:29675405

Encapsulation of Fe3O4 Nanoparticles into N, S co-Doped Graphene Sheets with Greatly Enhanced Electrochemical Performance

PubMed Central

Yang, Zunxian; Qian, Kun; Lv, Jun; Yan, Wenhuan; Liu, Jiahui; Ai, Jingwei; Zhang, Yuxiang; Guo, Tailiang; Zhou, Xiongtu; Xu, Sheng; Guo, Zaiping

2016-01-01

Particular N, S co-doped graphene/Fe3O4 hybrids have been successfully synthesized by the combination of a simple hydrothermal process and a subsequent carbonization heat treatment. The nanostructures exhibit a unique composite architecture, with uniformly dispersed Fe3O4 nanoparticles and N, S co-doped graphene encapsulant. The particular porous characteristics with many meso/micro holes/pores, the highly conductive N, S co-doped graphene, as well as the encapsulating N, S co-doped graphene with the high-level nitrogen and sulfur doping, lead to excellent electrochemical performance of the electrode. The N-S-G/Fe3O4 composite electrode exhibits a high initial reversible capacity of 1362.2 mAhg−1, a high reversible specific capacity of 1055.20 mAhg−1 after 100 cycles, and excellent cycling stability and rate capability, with specific capacity of 556.69 mAhg−1 when cycled at the current density of 1000 mAg−1, indicating that the N-S-G/Fe3O4 composite is a promising anode candidate for Li-ion batteries. PMID:27296103

Influence of Doping and Nanostructuration on n-Type Bi2(Te0.8Se0.2)3 Alloys Synthesized by Arc Melting

NASA Astrophysics Data System (ADS)

Gharsallah, Mouna; Serrano-Sanchez, Federico; Nemes, Norbert M.; Martinez, Jose Luis; Alonso, Jose Antonio

2017-01-01

In competitive thermoelectric devices for energy conversion and generation, high-efficiency materials of both n-type and p-type are required. For this, Bi2Te3-based alloys have the best thermoelectric properties in room temperature applications. Partial replacement of tellurium by selenium is expected to introduce new donor states in the band gap, which would alter electrical conductivity and thermopower. We report on the preparation of n-type Bi2(Te1-xSex)3 solid solutions by a straightforward arc-melting technique, yielding nanostructured polycrystalline pellets. X-ray and neutron powder diffraction was used to assess Se inclusion, also indicating that the interactions between quintuple layers constituting this material are weakened upon Se doping, while the covalency of intralayer bonds is augmented. Moreover, scanning electron microscopy shows large surfaces perpendicular to the c crystallographic axis assembled as stacked sheets. Grain boundaries related to this 2D nanostructuration affect the thermal conductivity reducing it below 0.8 Wm-1K-1 at room temperature. Furthermore, Se doping increases the absolute Seebeck coefficient up to -140 μV K-1 at 400 K, which is also beneficial for improved thermoelectric efficiency.

Advanced nanostructured materials for energy storage and conversion

NASA Astrophysics Data System (ADS)

Hutchings, Gregory S.

Due to a global effort to reduce greenhouse gas emissions and to utilize renewable sources of energy, much effort has been directed towards creating new alternatives to fossil fuels. Identifying novel materials for energy storage and conversion can enable radical changes to the current fuel production infrastructure and energy utilization. The use of engineered nanostructured materials in these systems unlocks unique catalytic activity in practical configurations. In this work, research efforts have been focused on the development of nanostructured materials to address the need for both better energy conversion and storage, with applications toward Li-O2 battery electrocatalysts, electrocatalytic generation of H2, conversion of furfural to useful chemicals and fuels, and Li battery anode materials. Highly-active alpha-MnO2 materials were synthesized for use as bifunctional oxygen reduction (ORR) and evolution (OER) catalysts in Li-O2 batteries, and were evaluated under operating conditions with a novel in situ X-ray absorption spectroscopy configuration. Through detailed analysis of local coordination and oxidation states of Mn atoms at key points in the electrochemical cycle, a self-switching behavior affecting the bifunctional activity was identified and found to be critical. In an additional study of materials for lithium batteries, nanostructured TiO2 anode materials doped with first-row transition metals were synthesized and evaluated for improving battery discharge capacity and rate performance, with Ni and Co doping at low levels found to cause the greatest enhancement. In addition to battery technology research, I have also sought to find inexpensive and earth-abundant electrocatalysts to replace state-of-the-art Pt/C in the hydrogen evolution reaction (HER), a systematic computational study of Cu-based bimetallic electrocatalysts was performed. During the screening of dilute surface alloys of Cu mixed with other first-row transition metals, materials with

Synthesis, characterization and vibrational spectroscopic study of Co, Mg co-doped LiMnPO4

NASA Astrophysics Data System (ADS)

Sronsri, Chuchai; Noisong, Pittayagorn; Danvirutai, Chanaiporn

2016-01-01

The isostructural olivine-like LiM(II)PO4 compounds [M(II) = Mn, Mn0.9Co0.1, Mn0.8Co0.1Mg0.1] were successfully generated through the solid state reaction from the synthesized NH4M(II)PO4• H2O precursors. The TG/DTG/DTA, AAS/AES, FTIR and XRD methods were employed to confirm both NH4M(II)PO4• H2O and LiM(II)PO4 compounds. Their morphologies were studied by SEM method. The shift of two theta angle of XRD to higher values was observed in metal doping compounds, which indicate the formation of the single phase of isodivalent doping of Co2 + and Mg2 + ions according to the change in the lattice parameters and cell volumes. Their infrared spectra are reported and discussed with respect to the normal vibrations of NH4+, PO43 -, P2O74 - and H2O molecules using factor group analysis. The correlation field splitting analysis of PO43 - in NH4M(II)PO4• H2O (orthorhombic system, Pmn21, C2v7 and Z = 2, [(3 × 5) - 6] × 2 = 18 internal modes) symbolized as Td - Cs - C2v7 suggested the number of vibrational modes to be: ΓVib = A1(6) + A2(3) + B1(6) + B2(3) and A1(6) + A2(3) + B1(3) + B2(6) for zx and yz plane respectively. While, LiM(II)PO4 crystallizes in the orthorhombic system the space group Pnma (D2h16), Z = 4 and the site symmetry of PO43 - is Cs. The correlation field splitting of type Td - Cs - D2h16 were reported in relation to [(3 × 5) - 6] × 4 = 36 internal modes for PO43 - unit in the structure.

Preparation of K-doped TiO2 nanostructures by wet corrosion and their sunlight-driven photocatalytic performance

NASA Astrophysics Data System (ADS)

Shin, Eunhye; Jin, Saera; Kim, Jiyoon; Chang, Sung-Jin; Jun, Byung-Hyuk; Park, Kwang-Won; Hong, Jongin

2016-08-01

K-doped TiO2 nanowire networks were prepared by the corrosion reaction of Ti nanoparticles in an alkaline (potassium hydroxide: KOH) solution. The prepared nanostructures were characterized by scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET) analysis, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, X-ray diffraction (XRD) and photoluminescence (PL) spectra. Their sunlight-driven photocatalytic activity was also investigated with differently charged dye molecules, such as methylene blue, rhodamine B and methyl orange. The adsorption of the dye molecules on the photocatalyst surface would play a critical role in their selective photodegradation under sunlight illumination.

LiNi(0.5)Mn(1.5)O4 porous nanorods as high-rate and long-life cathodes for Li-ion batteries.

PubMed

Zhang, Xiaolong; Cheng, Fangyi; Yang, Jingang; Chen, Jun

2013-06-12

Spinel-type LiNi0.5Mn1.5O4 porous nanorods assembled with nanoparticles have been prepared and investigated as high-rate and long-life cathode materials for rechargeable lithium-ion batteries. One-dimensional porous nanostructures of LiNi0.5Mn1.5O4 with ordered P4332 phase were obtained through solid-state Li and Ni implantation of porous Mn2O3 nanorods that resulted from thermal decomposition of the chain-like MnC2O4 precursor. The fabricated LiNi0.5Mn1.5O4 delivered specific capacities of 140 and 109 mAh g(-1) at 1 and 20 C rates, respectively. At a 5 C cycling rate, a capacity retention of 91% was sustained after 500 cycles, with extremely low capacity fade (<1%) during the initial 300 cycles. The remarkable performance was attributed to the porous 1D nanostructures that can accommodate strain relaxation by slippage at the subunits wall boundaries and provide short Li-ion diffusion distance along the confined dimension.

Post-Annealing Effects on Surface Morphological, Electrical and Optical Properties of Nanostructured Cr-Doped CdO Thin Films

NASA Astrophysics Data System (ADS)

Hymavathi, B.; Rajesh Kumar, B.; Subba Rao, T.

2018-01-01

Nanostructured Cr-doped CdO thin films were deposited on glass substrates by reactive direct current magnetron sputtering and post-annealed in vacuum from 200°C to 500°C. X-ray diffraction studies confirmed that the films exhibit cubic nature with preferential orientation along the (111) plane. The crystallite size, lattice parameters, unit cell volume and strain in the films were determined from x-ray diffraction analysis. The surface morphology of the films has been characterized by field emission scanning electron microscopy and atomic force microscopy. The electrical properties of the Cr-doped CdO thin films were measured by using a four-probe method and Hall effect system. The lowest electrical resistivity of 2.20 × 10-4 Ω cm and a maximum optical transmittance of 88% have been obtained for the thin films annealed at 500°C. The optical band gap of the films decreased from 2.77 eV to 2.65 eV with the increase of annealing temperature. The optical constants, packing density and porosity of Cr-doped CdO thin films were also evaluated from the transmittance spectra.

Lithium doping on covalent organic framework-320 for enhancing hydrogen storage at ambient temperature

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

Xia, Liangzhi, E-mail: 15004110853@163.com; Liu, Qing

2016-12-15

Density Functional Theory (DFT) combines with grand canonical Monte Carlo (GCMC) simulations are performed to explore the effect of Li doping on the hydrogen storage capability of COF-320. The results show that the interaction energy between the H{sub 2} and the Li-doped COF-320 is about three times higher than that of pristine COF-320. GCMC simulations are employed to study the hydrogen uptake of Li-doped COF-320 at ambient temperature, further confirm that the lithium doping can improve the hydrogen uptake at ambient temperature. Our results demonstrate that Li-doped COFs have good potential in the field of hydrogen storage. - Graphical abstract:more » Fig. 1. The optimized cluster model used here to represent the COF-320 and possible adsorption sites (A, B, C) for adsorption of metals in the COF-320. The dangling bonds are terminated by H atoms. C, H, and N atoms are shown as gray, white, and blue colors, respectively. Fig. 2. The adsorption isotherm of H{sub 2} in the pristine and Li-doped COF-320 at 298 K. - Highlights: • The binding sites of single and two lithium atoms in COF-320 were studied. • The interaction energy between the H{sub 2} and the Li-doped COF-320 is about three times higher than that of pristine COF-320. • H{sub 2} uptakes on the Li-doped COFs obtain significant improvement at ambient temperature. • Lithium-doping is a successful strategy for improving hydrogen uptake.« less

Ultraviolet photorefraction at 325 nm in doped lithium niobate crystals

NASA Astrophysics Data System (ADS)

Xin, Feifei; Zhang, Guoquan; Bo, Fang; Sun, Haifeng; Kong, Yongfa; Xu, Jingjun; Volk, Tatyana; Rubinina, Natalia M.

2010-02-01

We studied the photorefractive effect of lithium niobate (LiNbO3) doped with Mg, Zn, In, Hf, or codoped with Mg and Fe at an ultraviolet (UV) wavelength down to 325 nm. It is found that the UV photorefraction of LiNbO3 doped with Mg, Zn, In, or Hf was enhanced significantly as compared to that of the nominally pure LiNbO3. Our results show that the property of resistance against photorefraction in highly Mg, Zn, In, or Hf doped LiNbO3 is true only in the visible and near-infrared wavelength range. By contrast, these crystals exhibit excellent photorefractive characteristics at UV wavelength of 325 nm, even better than those at 351 nm. For example, the photorefractive two-wave coupling gain coefficient Γ and the photorefractive recording sensitivity at 325 nm were measured to be ˜38 cm-1 and 37.7 cm/J, respectively, in a LiNbO3 crystal doped with 9 mol % Zn. The photorefractive response time of a Mg:LiNbO3 with a 9 mol % Mg was measured to be 73 ms with a total recording intensity of 614 mW/cm2 at 325 nm. In highly Mg, Zn, In, or Hf doped LiNbO3 crystals, diffusion dominates over photovoltaic effect and electrons are the dominant charge carriers in UV photorefraction at 325 nm. The results are also of interest to the study on the defect structure of LiNbO3 near to the absorption edge.

Nitrogen-doped carbon nanofibers derived from polypyrrole coated bacterial cellulose as high-performance electrode materials for supercapacitors and Li-ion batteries

DOE PAGES

Lei, Wen; Han, Lili; Xuan, Cuijuan; ...

2016-05-24

Here, nitrogen-doped carbon nanofiber (NDCN) was synthesized via carbonization of polypyrrole (PPy) coated bacterial cellulose (BC) composites, where BC serves as templates as well as precursor, and PPy serves as the nitrogen source. The synthesized NDCN was employed as electrode for both supercapacitors and Li-ion batteries. The large surface area exposed to electrolyte resulting from the 3D carbon networks leads to sufficient electrode/electrolyte interface and creates shorter transport paths of electrolyte ions and Li + ion. Besides, the three types of N dopants in NDCN improve the electronic conductivity, as well as superior electrochemical performance.

Enhancement of pairing interaction and magnetic fluctuations toward a band insulator in an electron-doped Li(x)ZrNCl Superconductor.

PubMed

Kasahara, Yuichi; Kishiume, Tsukasa; Takano, Takumi; Kobayashi, Katsuki; Matsuoka, Eiichi; Onodera, Hideya; Kuroki, Kazuhiko; Taguchi, Yasujiro; Iwasa, Yoshihiro

2009-08-14

The doping dependence of specific heat and magnetic susceptibility has been investigated for Li(x)ZrNCl superconductors derived from a band insulator. As the carrier concentration is decreased, the anisotropy of superconducting gap changes from highly anisotropic to almost isotropic. It was also found that, upon reducing carrier density, the superconducting coupling strength and the magnetic susceptibility are concomitantly enhanced in parallel with T(c), while the density of states at the Fermi level is kept almost constant. Theoretical calculations taking into account the on-site Coulomb interaction reproduced the experimental results, suggesting a possible pairing mediated by magnetic fluctuations, even in the doped band insulators.

Porous Mn-doped cobalt oxide@C nanocomposite: a stable anode material for Li-ion rechargeable batteries

NASA Astrophysics Data System (ADS)

Kalubarme, Ramchandra S.; Jadhav, Sarika M.; Kale, Bharat B.; Gosavi, Suresh W.; Terashima, Chiaki; Fujishima, Akira

2018-07-01

Cobalt oxide is a transition metal oxide, well studied as an electrode material for energy storage applications, especially in supercapacitors and rechargeable batteries, due to its high charge storage ability. However, it suffers from low conductivity, which effectively hampers its long-term stability. In the present work, a simple strategy to enhance the conductivity of cobalt oxide is adopted to achieve stable electrochemical performance by means of carbon coating and Mn doping, via a simple and controlled, urea-assisted glycine-nitrate combustion process. Structural analysis of carbon coated Mn-doped Co3O4 (Mn-Co3O4@C) confirms the formation of nanoparticles (∼50 nm) with connected morphology, exhibiting spinel structure. The Mn-Co3O4@C electrode displays superior electrochemical performance as a Li-ion battery anode, delivering a specific capacity of 1250 mAh g‑1. Mn-Co3O4@C demonstrates excellent performance in terms of long-term stability, keeping charge storage ability intact even at high current rates due to the synergistic effects of fast kinetics—provided by enriched electronic conductivity, which allows ions to move freely to active sites and electrons from reaction sites to substrate during redox reactions—and high surface area combined with mesoporous architecture. The fully assembled battery device using Mn-Co3O4@C and standard LiCoO2 electrode shows 90% capacity retention over 100 cycles.

Luminescence dynamics of bound exciton of hydrogen doped ZnO nanowires

DOE PAGES

Yoo, Jinkyoung; Yi, Gyu -Chul; Chon, Bonghwan; ...

2016-04-11

In this study, all-optical camera, converting X-rays into visible photons, is a promising strategy for high-performance X-ray imaging detector requiring high detection efficiency and ultrafast detector response time. Zinc oxide is a suitable material for all-optical camera due to its fast radiative recombination lifetime in sub-nanosecond regime and its radiation hardness. ZnO nanostructures have been considered as proper building blocks for ultrafast detectors with spatial resolution in sub-micrometer scale. To achieve remarkable enhancement of luminescence efficiency n-type doping in ZnO has been employed. However, luminescence dynamics of doped ZnO nanostructures have not been thoroughly investigated whereas undoped ZnO nanostructures havemore » been employed to study their luminescence dynamics. Here we report a study of luminescence dynamics of hydrogen doped ZnO nanowires obtained by hydrogen plasma treatment. Hydrogen doping in ZnO nanowires gives rise to significant increase in the near-band-edge emission of ZnO and decrease in averaged photoluminescence lifetime from 300 to 140 ps at 10 K. The effects of hydrogen doping on the luminescent characteristics of ZnO nanowires were changed by hydrogen doping process variables.« less

Optical properties of Mg2+, Yb3+, and Ho3+ tri-doped LiNbO3 crystals

NASA Astrophysics Data System (ADS)

Dai, Li; Liu, Chun-Rui; Tan, Chao; Yan, Zhe-Hua; Xu, Yu-Heng

2017-04-01

A series of LiNbO3 crystals tri-doped with Mg{}2+, Yb{}3+, and Ho{}3+ are grown by the conventional Czochraski technique. The concentrations of Mg{}2+, Yb{}3+, and Ho{}3+ ions in Mg:Yb:Ho:LiNbO3 crystals are measured by using an inductively coupled plasma atomic emission spectrometry. The x-ray diffraction is proposed to determine the lattice constant and analyze the internal structure of the crystal. The light-induced scattering of Mg:Yb:Ho:LiNbO3 crystal is quantitatively described via the threshold effect of incident exposure energy flux. The exposure energy ({E}{{r}}) is calculated to discuss the optical damage resistance ability. The exposure energy of Mg(7 mol):Yb:Ho:LiNbO3 crystal is 709.17 J/cm2, approximately 425 times higher than that of the Mg(1 mol):Yb:Ho:LiNbO3 crystal in magnitude. The blue, red, and very intense green bands of Mg:Yb:Ho:LiNbO3 crystal are observed under the 980-nm laser excitation to evaluate the up-conversion emission properties. The dependence of the emission intensity on pumping power indicates that the up-conversion emission is a two-photon process. The up-conversion emission mechanism is discussed in detail. This study indicates that Mg:Yb:Ho:LiNbO3 crystal can be applied to the fabrication of new multifunctional photoluminescence devices. Project supported by the National Natural Science Foundation of China (Grant No. 51301055), the Youth Science Fund of Heilongjiang Province, China (Grant No. QC2015061), the Special Funds of Harbin Innovation Talents in Science and Technology Research, China (Grant No. 2015RQQXJ045 ), and the Science Funds for the Young Innovative Talents of Harbin University of Science and Technology, China (Grant No. 201501).

A Sensor Based on LiCl/NaA Zeolite Composites for Effective Humidity Sensing.

PubMed

Zhang, Ying; Xiang, Hongyu; Sun, Liang; Xie, Qiuhong; Liu, Man; Chen, Yu; Ruan, Shengping

2018-03-01

LiCl/NaA zeolite composites were successfully prepared by doping 1 wt%, 2 wt%, 5 wt%, and 8 wt% of LiCl into NaA zeolite. The humidity sensing properties of LiCl/NaA composites were investigated among 11% 95% relative humidity (RH). The LiCl/NaA composites exhibited better humidity sensing properties than pure NaA zeolite. The sensor made by 2 wt% Li-doped NaA zeolite possesses the best linearly in the whole RH. These results demonstrate that the LiCl/NaA composites have the potential application in humidity sensing.

Effect of doping rare earths on magnetostriction characteristics of CoFe2O4 prepared from spent Li-ion batteries

NASA Astrophysics Data System (ADS)

Xi, Guoxi; Zhao, Tingting; Wang, Lu; Dun, Changwei; Zhang, Ye

2018-04-01

Recovering spent Li-ion batteries is beneficial to the economy and environment. Therefore, this study synthesized nanoparticles of cobalt ferrite doped with different rare earth ions (Nd, Ce, and Pr) by a sol-gel auto-combustion method using spent Li-ion batteries. The effect of the different doping elements on grain sizes, structure, magnetic and magnetostrictive properties, and strain derivative were confirmed by X-ray diffraction, scanning election microscopy, vibrating sample magnetometer, and a magnetostrictive coefficient measuring system. Substitution of a small amount of Fe3+ with RE3+ in CoRExFe2-xO4 (x = 0.025, 0.05, and 0.1) had a large effect on magnetostrictive properties and strain derivative, which was improved compared with pure cobalt ferrite at low magnetic field. The maximum strain derivative (dλ/dH = -1.49 × 10-9 A-1 m at 18 kA m-1) was obtained for Nd, x = 0.05. Changes in the magnetostriction coefficients and strain derivatives were correlated with changes in cation distribution, microstructure, and magnetic anisotropy, which depended strongly on RE3+ substitution and distribution in the spinel structure.

Lithium doped calcium phosphate cement maintains physical mechanical properties and promotes osteoblast proliferation and differentiation.

PubMed

Li, Li; Wang, Renchong; Li, Baichuan; Liang, Wei; Pan, Haobo; Cui, Xu; Tang, Jingli; Li, Bing

2017-07-01

Calcium phosphate cement (CPC) has been widely used in bone tissue repairing due to its physical mechanical properties and biocompatibility. Addition of trace element to CPC has shown promising evidence to improve the physical properties and biological activities of CPC. Lithium (Li) has effect on osteoblast proliferation and differentiation. In this study, we incorporated Li to CPC and examined the physical properties of Li/CPC and its effect on osteoblast proliferation and differentiation. We found that Li doped CPC maintained similar setting time, pore size distribution, compressive strength, composition, and morphology as CPC without Li. Additionally, Li doped CPC improved osteoblast proliferation and differentiation significantly compared to CPC without Li. To our knowledge, our results, for the first time, show that Li doped CPC has beneficial effect on osteoblast in cell culture while keeps the excellent physical-mechanical properties of CPC. This study will lead to potential application of Li doped CPC in bone tissue engineering. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 944-952, 2017. © 2016 Wiley Periodicals, Inc.

Mapping Structure-Composition-Property Relationships in V- and Fe-Doped LiMnPO4 Cathodes for Lithium-Ion Batteries.

PubMed

Johnson, Ian D; Loveridge, Melanie; Bhagat, Rohit; Darr, Jawwad A

2016-11-14

A series of LiMn 1-x-y Fe x V y PO 4 (LMFVP) nanomaterials have been synthesized using a pilot-scale continuous hydrothermal synthesis process (CHFS) and evaluated as high voltage cathodes in Li-ion batteries at a production rate of 0.25 kg h -1 . The rapid synthesis and screening approach has allowed the specific capacity of the high Mn content olivines to be optimized, particularly at high discharge rates. Consistent and gradual changes in the structure and performance are observed across the compositional region under investigation; the doping of Fe at 20 at% (with respect to Mn) into lithium manganese phosphate, rather than V or indeed codoping of Fe and V, gives the best balance of high capacity and high rate performance.

Studies on visible light photocatalytic and antibacterial activities of nanostructured cobalt doped ZnO thin films prepared by sol-gel spin coating method.

PubMed

Poongodi, G; Anandan, P; Kumar, R Mohan; Jayavel, R

2015-09-05

Nanostructured cobalt doped ZnO thin films were deposited on glass substrate by sol-gel spin coating technique and characterized by X-ray diffraction, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, energy-dispersive X-ray spectroscopy and UV-Vis spectroscopy. The XRD results showed that the thin films were well crystalline with hexagonal wurtzite structure. The results of EDAX and XPS revealed that Co was doped into ZnO structure. FESEM images revealed that the films possess granular morphology without any crack and confirm that Co doping decreases the grain size. UV-Vis transmission spectra show that the substitution of Co in ZnO leads to band gap narrowing. The Co doped ZnO films were found to exhibit improved photocatalytic activity for the degradation of methylene blue dye under visible light in comparison with the undoped ZnO film. The decrease in grain size and extending light absorption towards the visible region by Co doping in ZnO film contribute equally to the improved photocatalytic activity. The bactericidal efficiency of Co doped ZnO films were investigated against a Gram negative (Escherichia coli) and a Gram positive (Staphylococcus aureus) bacteria. The optical density (OD) measurement showed better bactericidal activity at higher level of Co doping in ZnO. Copyright © 2015 Elsevier B.V. All rights reserved.

Freeze-drying synthesis of three-dimensional porous LiFePO4 modified with well-dispersed nitrogen-doped carbon nanotubes for high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Tu, Xiaofeng; Zhou, Yingke; Song, Yijie

2017-04-01

The three-dimensional porous LiFePO4 modified with uniformly dispersed nitrogen-doped carbon nanotubes has been successfully prepared by a freeze-drying method. The morphology and structure of the porous composites are characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), and the electrochemical performances are evaluated using the constant current charge/discharge tests, cyclic voltammetry and electrochemical impedance spectroscopy. The nitrogen-doped carbon nanotubes are uniformly dispersed inside the porous LiFePO4 to construct a superior three-dimensional conductive network, which remarkably increases the electronic conductivity and accelerates the diffusion of lithium ion. The porous composite displays high specific capacity, good rate capability and excellent cycling stability, rendering it a promising positive electrode material for high-performance lithium-ion batteries.

Synthesis, electrochemical investigation and structural analysis of doped Li[Ni0.6Mn0.2Co0.2-xMx]O2 (x = 0, 0.05; M = Al, Fe, Sn) cathode materials

NASA Astrophysics Data System (ADS)

Eilers-Rethwisch, Matthias; Winter, Martin; Schappacher, Falko Mark

2018-05-01

Layered Ni-rich Li[Ni0.6Mn0.2Co0.2-xMx]O2 cathode materials (x = 0, 0.05; M = Al, Fe, Sn) are synthesized via a co-precipitation synthesis route and the effect of dopants on the structure and electrochemical performance is investigated. All synthesized materials show a well-defined layered structure of the hexagonal α-NaFeO2 phase investigated by X-ray diffraction (XRD). Undoped LiNi0.6Mn0.2Co0.2O2 exhibits a discharge capacity of 170 mAh g-1 in Li-metal 2032 coin-type cells. Doped materials reach lower capacities between 145 mAh g-1 for Al and 160 mAh g-1 for Sn. However, all doped materials prolong the cycle life by up to 20%. Changes of the lattice parameter before and after delithiation yield information about structural stability. A smaller repulsion of the transition metal layer during delithiation in the Sn-doped material leads to a smaller expansion of the unit cell, which results in enhanced structural stability of the material. The improved structural stability of Sn-doped NMC cathode active material is proven by thermal investigations with the help of Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA).

Enhanced photoluminescence intensity by modifying the surface nanostructure of Nd3+-doped (Pb, La)(Zr, Ti)O3 ceramics.

PubMed

Xu, Long; Zhang, Jingwen; Zhao, Hua; Sun, Haibin; Xu, Caixia

2017-09-01

Quasi-period cylindrical nanostructures with both diameters and intervals of about 100 nm are manufactured on the surfaces of Nd 3+ -doped lanthanum lead zirconate titanate ceramics by femtosecond laser irradiation under SF 6 atmosphere. A light-emission enhancement of more than 20 times is investigated, accompanied by an extremely long trailing-off time of light emission and lower threshold. A specific polarization state of the light emission is achieved and tuned by changing the incident regions of the pumping source. The increased absorption coefficient of the specimen is discussed based on multiple scattering and weak localization of light. In addition, both the scatterers provided by the laser-machined nanostructure and the recurrent photoinduced trapping and re-excitation process participated in the enhancement of the light emission. This Letter offers new insight to improve the luminescence property of laser materials, as well as to broaden the range of exploring the weak localization of light and random lasers.

Co-modification of nitrogen-doped graphene and carbon on Li3V2(PO4)3 particles with excellent long-term and high-rate performance for lithium storage

NASA Astrophysics Data System (ADS)

Ren, Manman; Yang, Mingzhi; Liu, Weiliang; Li, Mei; Su, Liwei; Wu, Xianbin; Wang, Yuanhao

2016-09-01

In this work, N-doped graphene and carbon co-modified Li3V2(PO4)3 composites (LVP/NGC) are successfully fabricated through a xerogel method for the first time. The obtained architecture combines two types of electronic contact with Li3V2(PO4)3 particles: the point-to-face contact of N-doped graphene and the face-to-face contact of N-doped carbon coating layers. Profiting from the favorable complex structure, graphene and carbon coating layers offer an extraordinary network for electron transfer and hence an excellent long-term and high-rate performance. Even tested at the rate of 40 C, the reversible capacity still maintains 86.9 mAh g-1 after 800 cycles without any fading. This work provides a promising route to improve the long-term and high-rate performance of cathodes for LIBs and enlightens us on exploring preferable strategies to develop advanced electrode materials for other energy storage devices.

Role of Cu in engineering the optical properties of SnO2 nanostructures: Structural, morphological and spectroscopic studies

NASA Astrophysics Data System (ADS)

Kumar, Virender; Singh, Kulwinder; Jain, Megha; Manju; Kumar, Akshay; Sharma, Jeewan; Vij, Ankush; Thakur, Anup

2018-06-01

We have carried out a systematic study to investigate the effect of Cu doping on the optical properties of SnO2 nanostructures synthesized by chemical route. Synthesized nanostructures were characterized using X-ray diffraction (XRD), Field emission scanning electron microscopy (FE-SEM), High resolution transmission electron microscopy (HR-TEM), Energy dispersive X-ray spectroscopy, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, UV-visible and Photoluminescence (PL) spectroscopy. The Rietveld refinement analysis of XRD patterns of Cu-doped SnO2 samples confirmed the formation of single phase tetragonal rutile structure, however some localized distortion was observed for 5 mol% Cu-doped SnO2. Crystallite size was found to decrease with increase in dopant concentration. FE-SEM images indicated change in morphology of samples with doping. HR-TEM images revealed that synthesized nanostructures were nearly spherical and average crystallite size was in the range 12-21 nm. Structural defects, crystallinity and size effects on doping were investigated by Raman spectroscopy and results were complemented by FTIR spectroscopy. Optical band gap of samples was estimated from reflectance spectra. We have shown that band gap of SnO2 can be engineered from 3.62 to 3.82 eV by Cu doping. PL emission intensity increased as the doping concentration increased, which can be attributed to the development of defect states in the forbidden transition region of band gap of SnO2 with doping. We have also proposed a band model owing to defect states in SnO2 to explain the observed PL in Cu doped SnO2 nanostructures.

Patterning of silver nanoparticles on visible light-sensitive Mn-doped lithium niobate photogalvanic crystals

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

Liu Xiaoyan; Ohuchi, Fumio; Hatano, Hideki

2011-08-01

Visible light-induced polarization-dependent photochemical deposition of silver nanoparticles (AgNPs) has been demonstrated using Mn-doped congruent LiNbO{sub 3} (CLN) single crystals. Mn-doped CLN has a strong absorption over a wide region of the visible spectrum that allowed effective visible light irradiation for photochemical deposition. The AgNPs deposition on Mn-doped CLN was compared with that on non-doped congruent LiNbO{sub 3}, and together these further confirmed that the photochemical deposition on LiNbO{sub 3} is caused by the strong photogalvanic effect.

Synthesis and near-infrared fluorescence of K5NdLi2F10 nanocrystals and their dispersion with high doping concentration and long lifetime

NASA Astrophysics Data System (ADS)

Duan, Weikuan; Zhang, Yanyan; Wang, Zhongyue; Jiang, Jingyi; Liang, Chen; Wei, Wei

2014-05-01

K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd3+ ions (1 × 1020 cm-3) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers.K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd3+ ions (1 × 1020 cm-3) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers. Electronic supplementary information (ESI) available: Fitting curve of refractive index and detailed contents of Judd-Ofelt analysis. See DOI: 10.1039/c3nr06825k

Theoretical Study of Si(x) Ge(y)Li(z) (x=4-10, y=1-10, z=0-10) Clusters for Designing of Novel Nanostructured Materials to be Utilized as Anodes for Lithium-Ion Batteries

DTIC Science & Technology

2015-03-16

AFRL-OSR-VA-TR-2015-0088 Theoretical Study of Novel Nanostructured Materials for Lithium - Ion Batteries Mario Sanchez-Vazquez CENTRO DE INVESTIGACION...SiGeLi Clusters for Design of Novel Nanostructured Materials to Be Utilized as Anodes for Lithium - ion Batteries 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER...utilized as anodes for Lithium - ion batteries Final Report Nancy Perez-Peralta and Mario Sanchez-Vazquez Abstract In order to find out if

High power Nb-doped LiFePO4 Li-ion battery cathodes; pilot-scale synthesis and electrochemical properties

NASA Astrophysics Data System (ADS)

Johnson, Ian D.; Blagovidova, Ekaterina; Dingwall, Paul A.; Brett, Dan J. L.; Shearing, Paul R.; Darr, Jawwad A.

2016-09-01

High power, phase-pure Nb-doped LiFePO4 (LFP) nanoparticles are synthesised using a pilot-scale continuous hydrothermal flow synthesis process (production rate of 6 kg per day) in the range 0.01-2.00 at% Nb with respect to total transition metal content. EDS analysis suggests that Nb is homogeneously distributed throughout the structure. The addition of fructose as a reagent in the hydrothermal flow process, followed by a post synthesis heat-treatment, affords a continuous graphitic carbon coating on the particle surfaces. Electrochemical testing reveals that cycling performance improves with increasing dopant concentration, up to a maximum of 1.0 at% Nb, for which point a specific capacity of 110 mAh g-1 is obtained at 10 C (6 min for the charge or discharge). This is an excellent result for a high power cathode LFP based material, particularly when considering the synthesis was performed on a large pilot-scale apparatus.

High power density cell using nanostructured Sr-doped SmCoO3 and Sm-doped CeO2 composite powder synthesized by spray pyrolysis

NASA Astrophysics Data System (ADS)

Shimada, Hiroyuki; Yamaguchi, Toshiaki; Suzuki, Toshio; Sumi, Hirofumi; Hamamoto, Koichi; Fujishiro, Yoshinobu

2016-01-01

High power density solid oxide electrochemical cells were developed using nanostructure-controlled composite powder consisting of Sr-doped SmCoO3 (SSC) and Sm-doped CeO2 (SDC) for electrode material. The SSC-SDC nano-composite powder, which was synthesized by spray pyrolysis, had a narrow particle size distribution (D10, D50, and D90 of 0.59, 0.71, and 0.94 μm, respectively), and individual particles were spherical, composing of nano-size SSC and SDC fragments (approximately 10-15 nm). The application of the powder to a cathode for an anode-supported solid oxide fuel cell (SOFC) realized extremely fine cathode microstructure and excellent cell performance. The anode-supported SOFC with the SSC-SDC cathode achieved maximum power density of 3.65, 2.44, 1.43, and 0.76 W cm-2 at 800, 750, 700, and 650 °C, respectively, using humidified H2 as fuel and air as oxidant. This result could be explained by the extended electrochemically active region in the cathode induced by controlling the structure of the starting powder at the nano-order level.

Structural characteristics of Mg-doped (1-x)(K0.5Na0.5)NbO3-xLiSbO3 lead-free ceramics as revealed by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Zhu, W. L.; Zhu, J. L.; Meng, Y.; Wang, M. S.; Zhu, B.; Zhu, X. H.; Zhu, J. G.; Xiao, D. Q.; Pezzotti, G.

2011-12-01

This paper presents a Raman spectroscopic study of compositional-change-induced structure variation and of the related mechanism of Mg doping in LiSbO3 (LS)-modified (K0.5Na0.5)NbO3 (KNN) ceramics. With increasing LS content from 0 to 0.06, a discontinuous shift towards higher wavenumbers was found for the band position of the A1g(v1) stretching mode of KNN, accompanied by a clearly nonlinear broadening of this band and a decrease in its intensity. Such morphological changes in the Raman spectrum result from two factors: (i) changes in polarizability/binding strength of the O-Nb-O vibration upon incorporation of Li ions in the KNN perovskitic structure and (ii) a polymorphic phase transition (PPT) from orthorhombic to tetragonal (O → T) phase at x > 0.04. Upon increasing the amount, w, of Mg dopant incorporated into the (1-x)KNN-xLS ceramic structure, the intensity of the Raman bands are enhanced, while the peak position and the full width at half maximum of the A1g(v1) mode was found to experience a clear dependence on both w and x. Raman characterization revealed that the mechanism of Mg doping is strongly correlated with the concentration of Li in the perovskite structure: Mg2+ ions will preferentially replace Li+ ions for low Mg doping while replace K/Na ions for higher doping of Mg. The PPT O → T was also found to be altered by the introduction of Mg and the critical value of LS concentration, xO-T, for incipient O → T transition in the KNN-xLS-wMT system was strongly dependent on Mg content, with xO → T being roughly equal to 0.04 + 2w, for the case of dilute Mg alloying.

Nitrogen-doped hollow porous carbon nanospheres coated with MnO2 nanosheets as excellent sulfur hosts for Li-S batteries

NASA Astrophysics Data System (ADS)

Zhang, Xiaolong; Yang, He; Guo, Junling; Zhao, Shupeng; Gong, Shoutao; Du, Xinyu; Zhang, Fengxiang

2017-11-01

In this work, nitrogen-doped hollow porous carbon nanospheres coated with MnO2 nanosheets (NHPC@MnO2) were prepared as a novel sulfur host for the cathode of lithium-sulfur battery. N-doping of carbon and deposition of the inherently polar MnO2 promote chemical binding of the host with sulfur and its reduction products, known as polysulfides. Meanwhile, proper N-doping can improve the electron conductivity of carbon, and the nanosheet structure may help to guarantee facile electron- and lithium-ion transport through MnO2. Attributed to these advantages, the NHPC@MnO2/S cathode with a high sulfur content (70 wt% and 2.6 mg cm-2) exhibited an excellent cycle stability: its capacity retention was 93% within 100 cycles at 0.5 C. It also displayed a good rate capability: discharge capacities being ˜1130 mAh g-1 at 0.2 C, ˜1000 mAh g-1 at 0.5 C, ˜820 mAh g-1 at 1 C, and ˜630 mAh g-1 at 2 C. Our work demonstrates the synergistic effect of MnO2 nanostructure and N-doped carbon nanospheres for enhanced performance of lithium-sulfur battery cathodes.

Effect of tetravalent dopants on hematite nanostructure for enhanced photoelectrochemical water splitting

NASA Astrophysics Data System (ADS)

Subramanian, Arunprabaharan; Gracia-Espino, Eduardo; Annamalai, Alagappan; Lee, Hyun Hwi; Lee, Su Yong; Choi, Sun Hee; Jang, Jum Suk

2018-01-01

In this paper, the influence of tetravalent dopants such as Si4+, Sn4+, Ti4+, and Zr4+ on the hematite (α-Fe2O3) nanostructure for enhanced photoelectrochemical (PEC) water splitting are reported. The tetravalent doping was performed on hydrothermally grown akaganeite (β-FeOOH) nanorods on FTO (fluorine-doped tin-oxide) substrates via a simple dipping method for which the respective metal-precursor solution was used, followed by a high-temperature (800° C) sintering in a box furnace. The photocurrent density for the pristine (hematite) photoanode is ∼0.81 mA/cm2 at 1.23 VRHE, with an onset potential of 0.72 VRHE; however, the tetravalent dopants on the hematite nanostructures alter the properties of the pristine photoanode. The Si4+-doped hematite photoanode showed a slight photocurrent increment without a changing of the onset potential of the pristine photoanode. The Sn4+- and Ti4+-doped hematite photoanodes, however, showed an anodic shift of the onset potential with the photocurrent increment at a higher applied potential. Interestingly, the Zr4+-doped hematite photoanode exhibited an onset potential that is similar to those of the pristine and Si4+-doped hematite, but a larger photocurrent density that is similar to those of the Sn4+- and Ti4+-doped photoanodes was recorded. The photoactivity of the doped photoanodes at 1.23 VRHE follows the order Zr > Sn > Ti > Si. The onset-potential shifts of the doped photoanodes were investigated using the Ab initio calculations that are well correlated with the experimental data. X-ray diffraction (XRD) and scanning-electron microscopy (FESEM) revealed that both the crystalline phase of the hematite and the nanorod morphology were preserved after the doping procedure. X-ray photoelectron spectroscopy (XPS) confirmed the presence of the tetravalent dopants on the hematite nanostructure. The charge-transfer resistance at the various interfaces of the doped photoanodes was studied using impedance spectroscopy. The

EXAFS and XANES investigation of (Li, Ni) codoped ZnO thin films grown by pulsed laser deposition.

PubMed

Mino, Lorenzo; Gianolio, Diego; Bardelli, Fabrizio; Prestipino, Carmelo; Senthil Kumar, E; Bellarmine, F; Ramanjaneyulu, M; Lamberti, Carlo; Ramachandra Rao, M S

2013-09-25

Ni doped, Li doped and (Li, Ni) codoped ZnO thin films were successfully grown using a pulsed laser deposition technique. Undoped and doped ZnO thin films were investigated using extended x-ray absorption fine structure (EXAFS) and x-ray absorption near edge spectroscopy (XANES). Preliminary investigations on the Zn K-edge of the undoped and doped ZnO thin films revealed that doping has not influenced the average Zn-Zn bond length and Debye-Waller factor. This shows that both Ni and Li doping do not appreciably affect the average local environment of Zn. All the doped ZnO thin films exhibited more than 50% of substitutional Ni, with a maximum of 77% for 2% Ni and 2% Li doped ZnO thin film. The contribution of Ni metal to the EXAFS signal clearly reveals the presence of Ni clusters. The Ni-Ni distance in the Ni(0) nanoclusters, which are formed in the film, is shorter with respect to the reference Ni metal foil and the Debye-Waller factor is higher. Both facts perfectly reflect what is expected for metal nanoparticles. At the highest doping concentration (5%), the presence of Li favors the growth of a secondary NiO phase. Indeed, 2% Ni and 5% Li doped ZnO thin film shows %Nisub = 75 ± 11, %Nimet = 10 ± 8, %NiO = 15 ± 8. XANES studies further confirm that the substitutional Ni is more than 50% in all the samples. These results explain the observed magnetic properties.

Synthesis of Spherical Al-Doping LiMn2O4 via a High-Pressure Spray-Drying Method as Cathode Materials for Lithium-Ion Batteries

NASA Astrophysics Data System (ADS)

Zhang, Yannan; Zhang, Yingjie; Zhang, Mingyu; Xu, Mingli; Li, Xue; Yu, Xiaohua; Dong, Peng

2018-05-01

Uniform and spherical LiAl0.075Mn1.925O4 particles have been successfully synthesized by the high-pressure spray-drying method. The structures and electrochemical properties of the particles were characterized by various techniques. Benefiting from the sphere-like morphology and Al-doping, LiAl0.075Mn1.925O4 delivers a capacity retention of 81.6% after 1000 cycles at 2°C, while LiMn2O4 exhibits a capacity retention of only 32.2%. The rate capability and reversible cycling performance are also improved. Furthermore, this work significantly alleviates the dissolution of Mn in LiMn2O4 materials, and effectively improves the transfer rate of lithium ions at the electrode/electrolyte interface. The spherical LiAl0.075Mn1.925O4 prepared by a facile method shows great potential for practical application in low-cost and long-life lithium-ion batteries.

Hydrogen Gas Sensors Based on Semiconductor Oxide Nanostructures

PubMed Central

Gu, Haoshuang; Wang, Zhao; Hu, Yongming

2012-01-01

Recently, the hydrogen gas sensing properties of semiconductor oxide (SMO) nanostructures have been widely investigated. In this article, we provide a comprehensive review of the research progress in the last five years concerning hydrogen gas sensors based on SMO thin film and one-dimensional (1D) nanostructures. The hydrogen sensing mechanism of SMO nanostructures and some critical issues are discussed. Doping, noble metal-decoration, heterojunctions and size reduction have been investigated and proved to be effective methods for improving the sensing performance of SMO thin films and 1D nanostructures. The effect on the hydrogen response of SMO thin films and 1D nanostructures of grain boundary and crystal orientation, as well as the sensor architecture, including electrode size and nanojunctions have also been studied. Finally, we also discuss some challenges for the future applications of SMO nanostructured hydrogen sensors. PMID:22778599

Photostimulated near-infrared persistent luminescence as a new optical read-out from Cr3+-doped LiGa5O8

PubMed Central

Liu, Feng; Yan, Wuzhao; Chuang, Yen-Jun; Zhen, Zipeng; Xie, Jin; Pan, Zhengwei

2013-01-01

In conventional photostimulable storage phosphors, the optical information written by x-ray or ultraviolet irradiation is usually read out as a visible photostimulated luminescence (PSL) signal under the stimulation of a low-energy light with appropriate wavelength. Unlike the transient PSL, here we report a new optical read-out form, photostimulated persistent luminescence (PSPL) in the near-infrared (NIR), from a Cr3+-doped LiGa5O8 NIR persistent phosphor exhibiting a super-long NIR persistent luminescence of more than 1,000 h. An intense PSPL signal peaking at 716 nm can be repeatedly obtained in a period of more than 1,000 h when an ultraviolet-light (250–360 nm) pre-irradiated LiGa5O8:Cr3+ phosphor is repeatedly stimulated with a visible light or a NIR light. The LiGa5O8:Cr3+ phosphor has promising applications in optical information storage, night-vision surveillance, and in vivo bio-imaging. PMID:23532003

Design of Janus nanoparticles with atomic precision: tungsten-doped gold nanostructures.

PubMed

Sun, Qiang; Wang, Qian; Jena, Puru; Kawazoe, Yoshiyuki

2008-02-01

Janus nanoparticles, characterized by their anisotropic structure and interactions, have added a new dimension to nanoscience because of their potential applications in biomedicine, sensors, catalysis, and assembled materials. The technological applications of these nanoparticles, however, have been limited as the current chemical, physical, and biosynthetic methods lack sufficient size and shape selectivity. We report a technique where gold clusters doped with tungsten can serve as a seed that facilitates the natural growth of anisotropic nanostructures whose size and shape can be controlled with atomic precision. Using ab initio simulated annealing and molecular dynamics calculations on AunW (n > 12) clusters, we discovered that the W@Au12 cage cluster forms a very stable core with the remaining Au atoms forming patchy structures on its surface. The anisotropic geometry gives rise to anisotropies in vibrational spectra, charge distributions, electronic structures, and reactivity, thus making it useful to have dual functionalities. In particular, the core-patch structure is shown to possess a hydrophilic head and a hydrophobic tail. The W@Au12 clusters can also be used as building blocks of a nanoring with novel properties.

Lithium-doped hydroxyapatite nano-composites: Synthesis, characterization, gamma attenuation coefficient and dielectric properties

NASA Astrophysics Data System (ADS)

Badran, H.; Yahia, I. S.; Hamdy, Mohamed S.; Awwad, N. S.

2017-01-01

Lithium-hydroxyapatite (0, 1, 5, 10, 20, 30 and 40 wt% Li-HAp) nano-composites were synthesized by sol-gel technique followed by microwave-hydrothermal treatment. The composites were characterized by X-ray diffraction (XRD), Field emission scanning electron microscope (FE-SEM), energy dispersive spectroscopy (EDS), Fourier transform infrared (FTIR) and Raman techniques. Gamma attenuation coefficient and the dielectric properties for all composites were investigated. The crystallinity degree of Li-doped HAp was higher than that of un-doped HAp. Gamma attenuation coefficient values increased from 0.562 cm-1 for 0 wt% Li-HAp to 2.190 cm-1 for 40 wt% Li-HAp. The alternating current conductivity increased with increasing frequency. The concentration of Li affect the values of dielectric constant where Li doped HAp of low dielectric constant can have an advantage for healing in bone fractures. The calcium to phosphorus ratio decreased from 1.43 to 1.37 with the addition of lithium indicating the Ca deficiency in the studied composites. Our findings lead to the conclusion that Li-HAp is a new nano-composite useful for medical applications and could be doped with gamma shield materials.

Formation of nanostructures in Eu3+ doped glass-ceramics: an XAS study.

PubMed

Pellicer-Porres, J; Segura, A; Martínez-Criado, G; Rodríguez-Mendoza, U R; Lavín, V

2013-01-16

We describe the results of x-ray absorption experiments carried out to deduce structural and chemical information in Eu(3+) doped, transparent, oxyfluoride glass and nanostructured glass-ceramic samples. The spectra were measured at the Pb and Eu-L(III) edges. The Eu environment in the glass samples is observed to be similar to that of EuF(3). Complementary x-ray diffraction experiments show that thermal annealing creates β-PbF(2) type nanocrystals. X-ray absorption indicates that Eu ions act as seeds in the nanocrystal formation. There is evidence of interstitial fluorine atoms around Eu ions as well as Eu dimers. X-ray absorption at the Pb-L(III) edge shows that after the thermal treatment most lead atoms form a PbO amorphous phase and that only 10% of the lead atoms remain available to form β-PbF(2) type nanocrystals. Both x-ray diffraction and absorption point to a high Eu content in the nanocrystals. Our study suggests new approaches to the oxyfluoride glass-ceramic synthesis in order to further improve their properties.

Chemically Modified Metal Oxide Nanostructure for Photoelectrochemical Water Splitting

NASA Astrophysics Data System (ADS)

Wang, Gongming

Hydrogen gas is chemical fuel with high energy density, and represents a clean, renewable and carbon-free burning fuel, which has the potential to solve the more and more urgent energy crisis in today's society. Inspired by natural photosynthesis, artificial photosynthesis to generate hydrogen energy has attracted a lot of attentions in the field of chemistry, physics and material. Photoelectrochemical water splitting based on semiconductors represents a green and low cost method to generate hydrogen fuel. However, the current overall efficiency of solar to hydrogen is quite low, due to some intrinsic limitations such as bandgap, diffusion distance, carrier lifetime and photostability of semiconductors. Although nanostructured semiconductors can improve their photoelectrochemical water splitting performance to some extent, by increasing electrolyte accessible area and shortening minority carrier diffusion distance, nanostructure engineering cannot change their intrinsic electronic properties. Recent development in chemically modified nanostructures such as surface catalyst decoration, element doping, plasmonic modification and interfacial hetero-junction design have led to significant advancement in the photoelectrochemical water splitting, by improving surface reaction kinetics and charge separation, transportation and collection efficiency. In this thesis, I will give a detailed discussion on the chemically modified metal oxide nanostructures for photoelectrocemical hydrogen generation, with a focus on the element doping, hydrogen treatment and catalyst modification. I have demonstrated nitrogen doping on ZnO and Ti doping on hematite can improve their photoelectrochemical performance. In addition, we found hydrogen treatment is a general and effective method to improve the photocatalytic performance, by increasing their carrier desities. Hydrogen treatment has been demonstrated on TiO2, WO3 and BiVO4. In the end, we also used electrochemical catalyt to modify

Sulfur-doped nanoporous carbon spheres with ultrahigh specific surface area and high electrochemical activity for supercapacitor

NASA Astrophysics Data System (ADS)

Liu, Simin; Cai, Yijin; Zhao, Xiao; Liang, Yeru; Zheng, Mingtao; Hu, Hang; Dong, Hanwu; Jiang, Sanping; Liu, Yingliang; Xiao, Yong

2017-08-01

Development of facile and scalable synthesis process for the fabrication of nanoporous carbon materials with large specific surface areas, well-defined nanostructure, and high electrochemical activity is critical for the high performance energy storage applications. The key issue is the dedicated balance between the ultrahigh surface area and highly porous but interconnected nanostructure. Here, we demonstrate the fabrication of new sulfur doped nanoporous carbon sphere (S-NCS) with the ultrahigh surface area up to 3357 m2 g-1 via a high-temperature hydrothermal carbonization and subsequent KOH activation process. The as-prepared S-NCS which integrates the advantages of ultrahigh porous structure, well-defined nanospherical and modification of heteroatom displays excellent electrochemical performance. The best performance is obtained on S-NCS prepared by the hydrothermal carbonization of sublimed sulfur and glucose, S-NCS-4, reaching a high specific capacitance (405 F g-1 at a current density of 0.5 A g-1) and outstanding cycle stability. Moreover, the symmetric supercapacitor is assembled by S-NCS-4 displays a superior energy density of 53.5 Wh kg-1 at the power density of 74.2 W kg-1 in 1.0 M LiPF6 EC/DEC. The synthesis method is simple and scalable, providing a new route to prepare highly porous and heteroatom-doped nanoporous carbon spheres for high performance energy storage applications.

Modulation-Doped In2 O3 /ZnO Heterojunction Transistors Processed from Solution.

PubMed

Khim, Dongyoon; Lin, Yen-Hung; Nam, Sungho; Faber, Hendrik; Tetzner, Kornelius; Li, Ruipeng; Zhang, Qiang; Li, Jun; Zhang, Xixiang; Anthopoulos, Thomas D

2017-05-01

This paper reports the controlled growth of atomically sharp In 2 O 3 /ZnO and In 2 O 3 /Li-doped ZnO (In 2 O 3 /Li-ZnO) heterojunctions via spin-coating at 200 °C and assesses their application in n-channel thin-film transistors (TFTs). It is shown that addition of Li in ZnO leads to n-type doping and allows for the accurate tuning of its Fermi energy. In the case of In 2 O 3 /ZnO heterojunctions, presence of the n-doped ZnO layer results in an increased amount of electrons being transferred from its conduction band minimum to that of In 2 O 3 over the interface, in a process similar to modulation doping. Electrical characterization reveals the profound impact of the presence of the n-doped ZnO layer on the charge transport properties of the isotype In 2 O 3 /Li-ZnO heterojunctions as well as on the operating characteristics of the resulting TFTs. By judicious optimization of the In 2 O 3 /Li-ZnO interface microstructure, and Li concentration, significant enhancement in both the electron mobility and TFT bias stability is demonstrated. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of surface nanostructuring and impurity doping on ultrafast carrier dynamics of silicon photovoltaic cells: a pump-probe study

NASA Astrophysics Data System (ADS)

Chen, Tianyu; Nam, Yoon-Ho; Wang, Xinke; Han, Peng; Sun, Wenfeng; Feng, Shengfei; Ye, Jiasheng; Song, Jae-Won; Lee, Jung-Ho; Zhang, Chao; Zhang, Yan

2018-01-01

We present femtosecond optical pump-terahertz probe studies on the ultrafast dynamical processes of photo-generated charge carriers in silicon photovoltaic cells with various nanostructured surfaces and doping densities. The pump-probe measurements provide direct insight on the lifetime of photo-generated carriers, frequency-dependent complex dielectric response along with photoconductivity of silicon photovoltaic cells excited by optical pump pulses. A lifetime of photo-generated carriers of tens of nanosecond is identified from the time-dependent pump-induced attenuation of the terahertz transmission. In addition, we find a large value of the imaginary part of the dielectric function and of the real part of the photoconductivity in silicon photovoltaic cells with micron length nanowires. We attribute these findings to the result of defect-enhanced electron-photon interactions. Moreover, doping densities of phosphorous impurities in silicon photovoltaic cells are also quantified using the Drude-Smith model with our measured frequency-dependent complex photoconductivities.

Anomalous luminescence phenomena of indium-doped ZnO nanostructures grown on Si substrates by the hydrothermal method

PubMed Central

2012-01-01

In recent years, zinc oxide (ZnO) has become one of the most popular research materials due to its unique properties and various applications. ZnO is an intrinsic semiconductor, with a wide bandgap (3.37 eV) and large exciton binding energy (60 meV) making it suitable for many optical applications. In this experiment, the simple hydrothermal method is used to grow indium-doped ZnO nanostructures on a silicon wafer, which are then annealed at different temperatures (400°C to 1,000°C) in an abundant oxygen atmosphere. This study discusses the surface structure and optical characteristic of ZnO nanomaterials. The structure of the ZnO nanostructures is analyzed by X-ray diffraction, the superficial state by scanning electron microscopy, and the optical measurements which are carried out using the temperature-dependent photoluminescence (PL) spectra. In this study, we discuss the broad peak energy of the yellow-orange emission which shows tendency towards a blueshift with the temperature increase in the PL spectra. This differs from other common semiconductors which have an increase in their peak energy of deep-level emission along with measurement temperature. PMID:22647253

Superior lithium adsorption and required magnetic separation behavior of iron-doped lithium ion-sieves

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

Wang, Shulei; Zheng, Shili; Wang, Zheming

The recent research on adsorption-based lithium recovery from lithium-containing solutions has been centred on adsorption capacity and separation of lithium ion-sieves powder from solutions. Herein, an effective iron-doped lithium titanium oxide (Fe-doped Li2TiO3) was synthesized by Fe-doping via solid state reactions followed by acid treatment to form iron-doped lithium ion-sieves (Fe/Ti-x(H)). The resulting solid powder displays both superior adsorption capacity of lithium and high separation efficiency of the adsorbent from the solutions. SEM imaging and BET surface area measurement results showed that at Fe doping levels x0.15, Fe-doping led to grain shrinkage as compared to Li2TiO3 and at the samemore » time the BET surface area increased. The Fe/Ti-0.15(H) exhibited saturated magnetization values of 13.76 emu g-1, allowing effective separation of the material from solid suspensions through the use of a magnet. Consecutive magnetic separation results suggested that the Fe/Ti-0.15(H) powders could be applied at large-scale and continuously removed from LiOH solutions with separation efficiency of 96% or better. Lithium adsorption studies indicated that the equilibrium adsorption capacity of Fe/Ti-0.15(H) in LiOH 2 solutions (1.8 g L-1 Li, pH 12) reached 53.3 mg g-1 within 24 h, which was higher than that of pristine Li2TiO3 (50.5 mg g-1) without Fe doping. Competitive adsorption and regeneration results indicated that the Fe/Ti-0.15(H) possessed a high selectivity for Li with facile regeneration. Therefore, it could be expected that the iron-doped lithium ion-sieves have practical applicability potential for large scale lithium extraction and recovery from lithium-bearing solutions.« less

Radiation-induced luminescence properties of Tb-doped Li3PO4-B2O3 glasses

NASA Astrophysics Data System (ADS)

Isokawa, Yuya; Hirano, Shotaro; Kawano, Naoki; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

2018-02-01

In this study, we developed Li3PO4-B2O3 glasses doped with different concentrations of Tb (0.1, 0.3, 1.0, 3.0, and 10.0%) as well as undoped glass, and then the prepared glasses were studied for the optical, dosimeter and scintillator properties. The Tb-doped samples indicated radioluminescence and photoluminescence (PL) due to the 4f-4f transitions of Tb3+ with sharp spectral features peaking around 375, 410, 435, 480, 540, 590 and 620 nm. The luminescence decay times of radioluminescence and PL were 2.3-2.7 ms and 2.7-2.9 ms, respectively. The shorter radioluminescence decay time than that of PL indicated quenching effect of excited states in radioluminescence. As the concentration of Tb increased, both the radioluminescence intensity and PL quantum yield (QY) increased, and the 10.0% Tb-doped sample showed the highest radioluminescence intensity and QY (54.3%). In addition, thermally-stimulated luminescence (TSL) was observed after irradiating with X-rays. The sensitivity was the highest for the 3.0% Tb-doped sample having a dynamic range from 0.1 mGy to 10 Gy, which was equivalent to commercial dosimeters. The comprehensive studies suggested that X-ray generated charges are captured at TSL-active centers more effectively at lower concentrations of Tb whereas the recombination probability at Tb center during irradiation increases with the concentration of Tb. Consequently, the optimal Tb concentration was 10% as scintillator and 3.0% for TSL dosimeter, among the present samples.

A review of colour center and nanostructure creation in LiF under heavy ion irradiation

NASA Astrophysics Data System (ADS)

Schwartz, K.; Maniks, J.; Manika, I.

2015-09-01

A study of radiation damage in LiF crystals under irradiation with MeV-GeV energy ions, from 12C to 238U, at temperatures varying from 8 to 300 K, depending on the ion energy, energy loss and irradiation temperature, is presented. For light ions (12C, 14N) at low fluences, it is mainly color centers that are created. Increasing the fluence leads to the overlapping of tracks and the creation of more complex color centers, defect aggregates and dislocations. For ions with an energy loss above a threshold value (dE/dx = 10 keV nm-1) the tracks exhibit a central core damage region with a radius of 1-2 nm, surrounded by an extended halo which mainly contains single color centers. In this case, ion-induced nanostructuring is observed. Novel effects of radiation damage creation under ion irradiation at 8 K are observed. The role of energy loss and irradiation temperature in damage creation is discussed.

Structural and electrochemical properties of the doped spinels Li 1.05M 0.02Mn 1.98O 3.98N 0.02 (M = Ga 3+, Al 3+, or Co 3+; N = S 2- or F -) for use as cathode material in lithium batteries

NASA Astrophysics Data System (ADS)

Amaral, Fábio A.; Bocchi, Nerilso; Brocenschi, Ricardo F.; Biaggio, Sonia R.; Rocha-Filho, Romeu C.

The doped and milled spinels Li 1.05M 0.02Mn 1.98O 3.98N 0.02 (M = Ga 3+, Al 3+ or Co 3+; N = S 2- or F -) are studied aiming at obtaining an improved charge/discharge cycling performance. These spinels are prepared by a solid-state reaction among the precursors ɛ-MnO 2, LiOH, and the respective oxide/salt of the doping ions at 750 °C for 72 h and milled for 30 min. The obtained spinels are characterized by XRD, SEM, and determinations of the average manganese valence n. In the charge and discharge tests, the doped spinels present outstanding initial values of the specific discharge capacity C (117-126 mA h g -1), decreasing in the following order: C(Li 1.05Al 0.02Mn 1.98S 3.02O 3.98) > C(Li 1.05Al 0.02Mn 1.98F 3.02O 3.98) > C(Li 1.05Ga 0.02Mn 1.98S 3.02O 3.98) > C(Li 1.05Ga 0.02Mn 1.98F 3.02O 3.98) > C(Li 1.05Co 0.02Mn 1.98S 3.02O 3.98) > C(Li 1.05Co 0.02Mn 1.98F 3.02O 3.98). The doped spinel Li 1.05Ga 0.02Mn 1.98S 3.02O 3.98 presents an excellent electrochemical performance, with a low capacity loss even after 300 charge and discharge cycles (from 120 to 115 mA h g -1 or 4%).

Emission analysis of Tb3+ -and Sm3+ -ion-doped (Li2 O/Na2 O/K2 O) and (Li2 O + Na2 O/Li2 O + K2 O/K2 O + Na2 O)-modified borosilicate glasses.

PubMed

Naveen Kumar Reddy, B; Sailaja, S; Thyagarajan, K; Jho, Young Dahl; Sudhakar Reddy, B

2018-05-01

Four series of borosilicate glasses modified by alkali oxides and doped with Tb 3+ and Sm 3+ ions were prepared using the conventional melt quenching technique, with the chemical composition 74.5B 2 O 3 + 10SiO 2 + 5MgO + R + 0.5(Tb 2 O 3 /Sm 2 O 3 ) [where R = 10(Li 2 O /Na 2 O/K 2 O) for series A and C, and R = 5(Li 2 O + Na 2 O/Li 2 O + K 2 O/K 2 O + Na 2 O) for series B and D]. The X-ray diffraction (XRD) patterns of all the prepared glasses indicate their amorphous nature. The spectroscopic properties of the prepared glasses were studied by optical absorption analysis, photoluminescence excitation (PLE) and photoluminescence (PL) analysis. A green emission corresponding to the 5 D 4 → 7 F 5 (543 nm) transition of the Tb 3+ ions was registered under excitation at 379 nm for series A and B glasses. The emission spectra of the Sm 3+ ions with the series C and D glasses showed strong reddish-orange emission at 600 nm ( 4 G 5/2 → 6 H 7/2 ) with an excitation wavelength λ exci = 404 nm ( 6 H 5/2 → 4 F 7/2 ). Furthermore, the change in the luminescence intensity with the addition of an alkali oxide and combinations of these alkali oxides to borosilicate glasses doped with Tb 3+ and Sm 3+ ions was studied to optimize the potential alkali-oxide-modified borosilicate glass. Copyright © 2017 John Wiley & Sons, Ltd.

Nonlinear optical properties of TeO2-P2 O5- ZnO-LiNbO3 glass doped with Er3+ ions

NASA Astrophysics Data System (ADS)

Miedzinski, R.; Fuks-Janczarek, I.; El Sayed Said, Y.

2016-10-01

A series of lithium niobate LiNbO3 (LN) single crystals doped with Er3+ were grown under the same conditions by melt-quenching method. The distribution coefficients of rare-earth (RE) elements in the "crystal-melt" system of LN were determined at the beginning of the crystal growth. Their dependence on the dopant concentration in melt for 0.4 and 0.8 wt % was investigated. The procedure is applied to RE-doped lithium niobate (LiNbO3), a material of great interest for optoelectronic applications. We have obtained the real χR(3) and imaginary parts χI(3) of the third-order, nonlinear optical susceptibility to the nonlinear refractive index n2 and the nonlinear absorption coefficient β that are valid for absorbing systems. We show that nonlinear refractive or absorptive effects are the consequence of the interplay between the real and imaginary parts of the third-order susceptibilities of the materials. The method for measuring non-linear absorption coefficients and nonlinear refractive index based on well-known Z-scan is presented.

Luminescence properties of Eu3+-doped SiO2-LiYF4 glass-ceramic microrods

NASA Astrophysics Data System (ADS)

Secu, C. E.; Secu, M.

2015-09-01

Photoluminescence properties of the glass-ceramics microrods containing Eu3+-doped LiYF4 nanocrystals have been studied and characterized. Judd-Ofelt parameters and quantum efficiency has been computed from luminescence spectra and discussed by comparison to the glass ceramic bulk and pellet. The radiative decay rate Arad is higher in the glass ceramic rods (221 s-1) than in the glass ceramic bulk (130 s-1) but the quantum efficiency computed is very low (21%) compared to the glass-ceramic bulk (97%). There are effective non-radiative decay channels that might be related to an influence of the dimensional constraints imposed by the membrane pores during xerogel formation and subsequent glass ceramization.

Solvothermal synthesis of Mg-doped Li2FeSiO4/C nanocomposite cathode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Kumar, Ajay; Jayakumar, O. D.; Naik, V. M.; Nazri, G. A.; Naik, R.

Lithium transition metal orthosilicates, such as Li2FeSiO4 and Li2MnSiO4, as cathode material have attracted much attention lately due to their high theoretical capacity ( 330 mAh/g), low cost, and environmental friendliness. However, they suffer from poor electronic conductivity and slow lithium ion diffusion in the solid phase. Several cation-doped orthosilicates have been studied to improve their electrochemical performance. We have synthesized partially Mg-substituted Li2Mgx Fe1-x SiO4-C, (x = 0.0, 0.01, 0.02, and 0.04) nano-composites by solvothermal method followed by annealing at 600oC in argon flow. The structure and morphology of the composites were characterized by XRD, SEM and TEM. The surface area and pore size distribution were measured by using N2 adsorption/desorption curves. The electrochemical performance of the Li2MgxFe1-x SiO4-C composites was evaluated by Galvanostatic cycling against metallic lithium anode, electrochemical impedance spectroscopy, and cyclic voltammetry. Li2Mg0.01Fe0.99SiO4-C sample shows a capacity of 278 mAh/g (at C/30 rate in the 1.5-4.6 V voltage window) with an excellent rate capability and stability, compared to the other samples. We attribute this observation to its higher surface area, enhanced electronic conductivity and higher lithium ion diffusion coefficient.

First-principles study of hydrogen adsorption in metal-doped COF-10

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

Wu Miaomiao; Sun Qiang; Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284

2010-10-21

Covalent organic frameworks (COFs), due to their low-density, high-porosity, and high-stability, have promising applications in gas storage. In this study we have explored the potential of COFs doped with Li and Ca metal atoms for storing hydrogen under ambient thermodynamic conditions. Using density functional theory we have performed detailed calculations of the sites Li and Ca atoms occupy in COF-10 and their interaction with hydrogen molecules. The binding energy of Li atom on COF-10 substrate is found to be about 1.0 eV and each Li atom can adsorb up to three H{sub 2} molecules. However, at high concentration, Li atomsmore » cluster and, consequently, their hydrogen storage capacity is reduced due to steric hindrance between H{sub 2} molecules. On the other hand, due to charge transfer from Li to the substrate, O sites provide additional enhancement for hydrogen adsorption. With increasing concentration of doped metal atoms, the COF-10 substrate provides an additional platform for storing hydrogen. Similar conclusions are reached for Ca doped COF-10.« less

Dopant-Modulating Mechanism of Lithium Adsorption and Diffusion at the Graphene /Li2S Interface

NASA Astrophysics Data System (ADS)

Guo, Lichao; Li, Jiajun; Wang, Huayu; Zhao, Naiqin; Shi, Chunsheng; Ma, Liying; He, Chunnian; He, Fang; Liu, Enzuo

2018-02-01

Graphene modification is one of the most effective routes to enhance the electrochemical properties of the transition-metal sulfide anode for Li-ion batteries and the Li2S cathode for Li-S batteries. Boron, nitrogen, oxygen, phosphorus, and sulfur doping greatly affect the electrochemical properties of Li2S /graphene . Here, we investigate the interfacial binding energy, lithium adsorption energy, interface diffusion barrier, and electronic structure by first-principles calculations to unveil the diverse effects of different dopants during interfacial lithiation reactions. The interfacial lithium storage follows the pseudocapacitylike mechanism with intercalation character. Two different mechanisms are revealed to enhance the interfacial lithium adsorption and diffusion, which are the electron-deficiency host doping and the vacancylike structure evolutions with bond breaking. The synergistic effect between different dopants with diverse doping effects is also proposed. The results give a theoretical basis for the materials design with doped graphene as advanced materials modification for energy storage.

Enhancing the electrochemical performance of Li-rich layered oxide Li1.13Ni0.3Mn0.57O2 via WO3 doping and accompanying spontaneous surface phase formation

NASA Astrophysics Data System (ADS)

Huang, Jiajia; Liu, Haodong; Hu, Tao; Meng, Ying Shirley; Luo, Jian

2018-01-01

WO3 doping and accompanying spontaneous formation of a surface phase can substantially improve the discharge capacity, rate capability, and cycling stability of Co-free Li-rich layered oxide Li1.13Ni0.3Mn0.57O2 cathode material. X-ray photoelectron spectroscopy, in conjunction with ion sputtering, shows that W segregates to the particle surfaces, decreases the surface Ni/Mn ratio, and changes the surface valence state. High-resolution transmission electron microscopy further suggests that W segregation increases surface structural disorder. The spontaneous and simultaneous changes in the surface structure, composition, and valence state represent the formation of a surface phase (complexion) as the preferred surface thermodynamic state. Consequently, the averaged discharge capacity is increased by ∼13% from 251 to 284 mAh g-1 at a low rate of C/20 and by ∼200% from 30 to 90 mAh g-1 at a high rate of 40C, in comparison with an undoped specimen processed under identical conditions. Moreover, after 100 cycles at a charge/discharge rate of 1C, the WO3 doped specimen retained a discharge capacity of 188 mAh g-1, being 27% higher than that of the undoped specimen. In a broader context, this work exemplifies an opportunity of utilizing spontaneously-formed surface phases as a scalable and cost-effective method to improve materials properties.

Thermo-optic dispersion formula for the ordinary wave in 5 mol% MgO doped LiNbO3 and its application to temperature insensitive second-harmonic generation

NASA Astrophysics Data System (ADS)

Umemura, Nobuhiro; Matsuda, Daisuke

2016-05-01

We report the high accuracy thermo-optic dispersion formula for the ordinary wave of 5 mol% MgO doped congruent LiNbO3 (MgO:LiNbO3), which reproduces well our experimental data for the temperature-dependent birefringent phase-matching (BPM) and quasi-phase-matching (QPM) conditions with the oo-e, oo-o, and oe-o interactions in the 0.41-3.7 μm range. In addition, we found the temperature insensitive quasi-phase-matched second-harmonic generation (QPM/SHG) points exist in periodically poled MgO:LiNbO3 (MgO:PPLN) with the oo-o and oe-o interactions for the first time.

Nano-sized Mo- and Nb-doped TiO2 as anode materials for high energy and high power hybrid Li-ion capacitors.

PubMed

Bauer, Dustin; Roberts, Alexander J; Matsumi, Noriyoshi; Darr, Jawwad A

2017-05-12

Nano-sized Mo-doped titania (Mo 0.1 Ti 0.9 O 2 ) and Nb-doped titania (Nb 0.25 Ti 0.75 O 2 ) were directly synthesized via a continuous hydrothermal flow synthesis process. Materials characterization was conducted using physical techniques such as transmission electron microscopy, powder x-ray diffraction, x-ray photoelectron spectroscopy, Brunauer-Emmett-Teller specific surface area measurements and energy dispersive x-ray spectroscopy. Hybrid Li-ion supercapacitors were made with either a Mo-doped or Nb-doped TiO 2 negative electrode material and an activated carbon (AC) positive electrode. Cells were evaluated using electrochemical testing (cyclic voltammetry, constant charge discharge cycling). The hybrid Li-ion capacitors showed good energy densities at moderate power densities. When cycled in the potential window 0.5-3.0 V, the Mo 0.1 Ti 0.9 O 2 /AC hybrid supercapacitor showed the highest energy densities of 51 Wh kg -1 at a power of 180 W kg -1 with energy densities rapidly declining with increasing applied specific current. In comparison, the Nb 0.25 Ti 0.75 O 2 /AC hybrid supercapacitor maintained its energy density of 45 Wh kg -1 at 180 W kg -1 better, showing 36 Wh g -1 at 3200 W kg -1 , which is a very promising mix of high energy and power densities. Reducing the voltage window to the range 1.0-3.0 V led to an increase in power density, with the Mo 0.1 Ti 0.9 O 2 /AC hybrid supercapacitor giving energy densities of 12 Wh kg -1 and 2.5 Wh kg -1 at power densities of 6700 W kg -1 and 14 000 W kg -1 , respectively.

Nano-sized Mo- and Nb-doped TiO2 as anode materials for high energy and high power hybrid Li-ion capacitors

NASA Astrophysics Data System (ADS)

Bauer, Dustin; Roberts, Alexander J.; Matsumi, Noriyoshi; Darr, Jawwad A.

2017-05-01

Nano-sized Mo-doped titania (Mo0.1Ti0.9O2) and Nb-doped titania (Nb0.25Ti0.75O2) were directly synthesized via a continuous hydrothermal flow synthesis process. Materials characterization was conducted using physical techniques such as transmission electron microscopy, powder x-ray diffraction, x-ray photoelectron spectroscopy, Brunauer-Emmett-Teller specific surface area measurements and energy dispersive x-ray spectroscopy. Hybrid Li-ion supercapacitors were made with either a Mo-doped or Nb-doped TiO2 negative electrode material and an activated carbon (AC) positive electrode. Cells were evaluated using electrochemical testing (cyclic voltammetry, constant charge discharge cycling). The hybrid Li-ion capacitors showed good energy densities at moderate power densities. When cycled in the potential window 0.5-3.0 V, the Mo0.1Ti0.9O2/AC hybrid supercapacitor showed the highest energy densities of 51 Wh kg-1 at a power of 180 W kg-1 with energy densities rapidly declining with increasing applied specific current. In comparison, the Nb0.25Ti0.75O2/AC hybrid supercapacitor maintained its energy density of 45 Wh kg-1 at 180 W kg-1 better, showing 36 Wh g-1 at 3200 W kg-1, which is a very promising mix of high energy and power densities. Reducing the voltage window to the range 1.0-3.0 V led to an increase in power density, with the Mo0.1Ti0.9O2/AC hybrid supercapacitor giving energy densities of 12 Wh kg-1 and 2.5 Wh kg-1 at power densities of 6700 W kg-1 and 14 000 W kg-1, respectively.

Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

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

Datta, Soumendu, E-mail: soumendu@bose.res.in; Baral, Sayan; Mookerjee, Abhijit

2015-08-28

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO){sub 24} nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO){sub 24} nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The presentmore » study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.« less

Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

NASA Astrophysics Data System (ADS)

Datta, Soumendu; Kaphle, Gopi Chandra; Baral, Sayan; Mookerjee, Abhijit

2015-08-01

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO)24 nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO)24 nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The present study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.

Relaxation and transport properties of Li+ ion conducting biocompatible material for battery application

NASA Astrophysics Data System (ADS)

Hegde, Shreedatta; Ravindrachary, V.; Praveena, S. D.; Guruswamy, B.; Sagar, Rohan N.; Sanjeev, Ganesh

2018-04-01

Solid polymer electrolyte based on lithium chloride doped Poly (vinyl) alcohol composites are prepared by solution casting method. XRD results show that the crystallinity of the polymer interrupted upon LiCl doping and amorphous nature increases with dopant concentration. Impedance analysis revealed that conductivity of PVA increases with doping level and maximum ionic conductivity is observed to be 6.69 × 10-3 S/cm for 15 wt% LiCl doped PVA composite at 353K. Wagner's polarization technique has been followed to calculate ion transport number for high conducting electrolyte and transient study confirmed the presence of single charge species within the polymer electrolyte.

Superior lithium adsorption and required magnetic separation behavior of iron-doped lithium ion-sieves

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

Wang, Shulei; Zheng, Shili; Wang, Zheming

The recent research on adsorption-based lithium recovery from lithium-containing solutions has been centred on adsorption capacity and separation of lithium ion-sieves powder from solutions. Herein, an effective iron-doped lithium titanium oxide (Fe-doped Li 2TiO 3) was synthesized by Fe-doping via solid state reactions followed by acid treatment to form iron-doped lithium ion-sieves (Fe/Ti-x(H)). The resulting solid powder displays both superior adsorption capacity of lithium and high separation efficiency of the adsorbent from the solutions. SEM imaging and BET surface area measurement results showed that at Fe doping levels x ≤ 0.15, Fe-doping led to grain shrinkage as compared to Limore » 2TiO 3 and at the same time the BET surface area increased. The Fe/Ti-0.15(H) exhibited saturated magnetization values of 13.76 emu g -1, allowing effective separation of the material from solid suspensions through the use of a magnet. Consecutive magnetic separation results suggested that the Fe/Ti-0.15(H) powders could be applied at large-scale and continuously removed from LiOH solutions with separation efficiency of 96% or better. Lithium adsorption studies indicated that the equilibrium adsorption capacity of Fe/Ti-0.15(H) in LiOH solutions (1.8 g L -1 Li, pH 12) reached 53.3 mg g -1 within 24 h, which was higher than that of pristine Li 2TiO 3 (50.5 mg g-1) without Fe doping. Competitive adsorption and regeneration results indicated that the Fe/Ti-0.15(H) possessed a high selectivity for Li with facile regeneration. Therefore, it could be expected that the iron-doped lithium ion-sieves have practical applicability potential for large scale lithium extraction and recovery from lithium-bearing solutions.« less

Superior lithium adsorption and required magnetic separation behavior of iron-doped lithium ion-sieves

DOE PAGES

Wang, Shulei; Zheng, Shili; Wang, Zheming; ...

2018-09-09

The recent research on adsorption-based lithium recovery from lithium-containing solutions has been centred on adsorption capacity and separation of lithium ion-sieves powder from solutions. Herein, an effective iron-doped lithium titanium oxide (Fe-doped Li 2TiO 3) was synthesized by Fe-doping via solid state reactions followed by acid treatment to form iron-doped lithium ion-sieves (Fe/Ti-x(H)). The resulting solid powder displays both superior adsorption capacity of lithium and high separation efficiency of the adsorbent from the solutions. SEM imaging and BET surface area measurement results showed that at Fe doping levels x ≤ 0.15, Fe-doping led to grain shrinkage as compared to Limore » 2TiO 3 and at the same time the BET surface area increased. The Fe/Ti-0.15(H) exhibited saturated magnetization values of 13.76 emu g -1, allowing effective separation of the material from solid suspensions through the use of a magnet. Consecutive magnetic separation results suggested that the Fe/Ti-0.15(H) powders could be applied at large-scale and continuously removed from LiOH solutions with separation efficiency of 96% or better. Lithium adsorption studies indicated that the equilibrium adsorption capacity of Fe/Ti-0.15(H) in LiOH solutions (1.8 g L -1 Li, pH 12) reached 53.3 mg g -1 within 24 h, which was higher than that of pristine Li 2TiO 3 (50.5 mg g-1) without Fe doping. Competitive adsorption and regeneration results indicated that the Fe/Ti-0.15(H) possessed a high selectivity for Li with facile regeneration. Therefore, it could be expected that the iron-doped lithium ion-sieves have practical applicability potential for large scale lithium extraction and recovery from lithium-bearing solutions.« less

Manipulating transmission and reflection properties of a photonic crystal doped with quantum dot nanostructures

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

Solookinejad, G.; Panahi, M.; Sangachin, E. A.

The transmission and reflection properties of incident light in a defect dielectric structure is studied theoretically. The defect structure consists of donor and acceptor quantum dot nanostructures embedded in a photonic crystal. It is shown that the transmission and reflection properties of incident light can be controlled by adjusting the corresponding parameters of the system. The role of dipole–dipole interaction is considered as a new parameter in our calculations. It is noted that the features of transmission and reflection curves can be adjusted in the presence of dipole–dipole interaction. It is found that the absorption of weak probe light canmore » be converted to the probe amplification in the presence of dipole–dipole interaction. Moreover, the group velocity of transmitted and reflected probe light is discussed in detail in the absence and presence of dipole–dipole interaction. Our proposed model can be used as a new all-optical devices based on photonic materials doped with nanoparticles.« less

Plasmonic Three-Dimensional Transparent Conductor Based on Al-Doped Zinc Oxide-Coated Nanostructured Glass Using Atomic Layer Deposition

DOE PAGES

Malek, Gary A.; Aytug, Tolga; Liu, Qingfeng; ...

2015-04-02

Transparent nanostructured glass coatings, fabricated on glass substrates, with a unique three-dimensional (3D) architecture were utilized as the foundation for the design of plasmonic 3D transparent conductors. Transformation of the non-conducting 3D structure to a conducting 3D network was accomplished through atomic layer deposition of aluminum-doped zinc oxide (AZO). After AZO growth, gold nanoparticles (AuNPs) were deposited by electronbeam evaporation to enhance light trapping and decrease the overall sheet resistance. Field emission scanning electron microscopy and atomic force microcopy images revealed the highly porous, nanostructured morphology of the AZO coated glass surface along with the in-plane dimensions of the depositedmore » AuNPs. Sheet resistance measurements conducted on the coated samples verified that the electrical properties of the 3D network are comparable to that of the untextured two-dimensional AZO coated glass substrates. In addition, transmittance measurements of the glass samples coated with various AZO thicknesses showed preservation of the highly transparent nature of each sample, while the AuNPs demonstrated enhanced light scattering as well as light-trapping capability.« less

Plasmonic Three-Dimensional Transparent Conductor Based on Al-Doped Zinc Oxide-Coated Nanostructured Glass Using Atomic Layer Deposition

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

Malek, Gary A.; Aytug, Tolga; Liu, Qingfeng

Transparent nanostructured glass coatings, fabricated on glass substrates, with a unique three-dimensional (3D) architecture were utilized as the foundation for the design of plasmonic 3D transparent conductors. Transformation of the non-conducting 3D structure to a conducting 3D network was accomplished through atomic layer deposition of aluminum-doped zinc oxide (AZO). After AZO growth, gold nanoparticles (AuNPs) were deposited by electronbeam evaporation to enhance light trapping and decrease the overall sheet resistance. Field emission scanning electron microscopy and atomic force microcopy images revealed the highly porous, nanostructured morphology of the AZO coated glass surface along with the in-plane dimensions of the depositedmore » AuNPs. Sheet resistance measurements conducted on the coated samples verified that the electrical properties of the 3D network are comparable to that of the untextured two-dimensional AZO coated glass substrates. In addition, transmittance measurements of the glass samples coated with various AZO thicknesses showed preservation of the highly transparent nature of each sample, while the AuNPs demonstrated enhanced light scattering as well as light-trapping capability.« less

Sonochemical Synthesis of Zinc Oxide Nanostructures for Sensing and Energy Harvesting

NASA Astrophysics Data System (ADS)

Vabbina, Phani Kiran

Semiconductor nanostructures have attracted considerable research interest due to their unique physical and chemical properties at nanoscale which open new frontiers for applications in electronics and sensing. Zinc oxide nanostructures with a wide range of applications, especially in optoelectronic devices and bio sensing, have been the focus of research over the past few decades. However ZnO nanostructures have failed to penetrate the market as they were expected to, a few years ago. The two main reasons widely recognized as bottleneck for ZnO nanostructures are (1) Synthesis technique which is fast, economical, and environmentally benign which would allow the growth on arbitrary substrates and (2) Difficulty in producing stable p-type doping. The main objective of this research work is to address these two bottlenecks and find a solution that is inexpensive, environmentally benign and CMOS compatible. To achieve this, we developed a Sonochemical method to synthesize 1D ZnO Nanorods, core-shell nanorods, 2D nanowalls and nanoflakes on arbitrary substrates which is a rapid, inexpensive, CMOS compatible and environmentally benign method and allows us to grow ZnO nanostructures on any arbitrary substrate at ambient conditions while most other popular methods used are either very slow or involve extreme conditions such as high temperatures and low pressure. A stable, reproducible p-type doping in ZnO is one of the most sought out application in the field of optoelectronics. Here in this project, we doped ZnO nanostructures using sonochemical method to achieve a stable and reproducible doping in ZnO. We have fabricated a homogeneous ZnO radial p-n junction by growing a p-type shell around an n-type core in a controlled way using the sonochemical synthesis method to realize ZnO homogeneous core-shell radial p-n junction for UV detection. ZnO has a wide range of applications from sensing to energy harvesting. In this work, we demonstrate the successful fabrication of an

Controllable Self-Assembly of Micro-Nanostructured Si-Embedded Graphite/Graphene Composite Anode for High-Performance Li-Ion Batteries.

PubMed

Lin, Ning; Xu, Tianjun; Li, Tieqiang; Han, Ying; Qian, Yitai

2017-11-15

Si-containing graphite-based composites are considered as promising high-capacity anodes for lithium-ion batteries (LIBs). Here, a controllable and scalable self-assembly strategy is developed to produce micro-nanostructured graphite/Si/reduced graphene oxides composite (SGG). The self-assembly procedure is realized by the hydrogen bond interaction between acylamino-modified graphite and graphene oxides (GO); Si nanoparticles are in situ embedded between graphite and GO sheets uniformly. This architecture is able to overcome the incompatibility between Si nanoparticles and microsized graphite. Accordingly, the as-prepared SGG anode (Si 8 wt %) delivers a reversible Li-storage capacity of 572 mAh g -1 at 0.2 C, 502.2 mAh g -1 after 600 cycles at 0.8 C with a retention of 92%, and a capacity retention of 64% even at 10 C. The impressive electrochemical properties are ascribed to the stable architecture and three-dimensional conductive network constructed by graphite and graphene sheets, which can accommodate the huge volume change of Si, keep the conductive contact and structural integrity, and suppress side reactions with electrolyte. Additionally, the full-cell (LiFePO 4 cathode/SGG anode) delivers a specific capacity of 550 mAh g -1 with a working potential beyond 3.0 V.

Cerium and zinc: Dual-doped LiMn 2O 4 spinels as cathode material for use in lithium rechargeable batteries

NASA Astrophysics Data System (ADS)

Thirunakaran, R.; Sivashanmugam, A.; Gopukumar, S.; Rajalakshmi, R.

Pristine spinel lithium manganese oxide (LiMn 2O 4) and zinc- and cerium-doped lithium manganese oxide [LiZn xCe yMn 2- x- yO 4 (x = 0.01-0.10; y = 0.10-0.01)] are synthesized for the first time via the sol-gel route using p-amino benzoic acid as a chelating agent to obtain micron-sized particles and enhanced electrochemical performance. The sol-gel route offers shorter heating time, better homogeneity and control over stoichiometry. The resulting spinel product is characterized through various methods such as thermogravimetic and differential thermal analysis (TG/DTA), Fourier-transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDAX) and electrochemical galvanostatic cycling studies. Charge-discharge studies of LiMn 2O 4 samples heated at 850 °C exhibit a discharge capacity of 122 mAh g -1 and a corresponding 99% coulombic efficiency in the 1st cycle. The discharge capacity and cycling performance of LiZn 0.01Ce 0.01Mn 1.98O 4 is found to be superior (124 mAh g -1), with a low capacity fade (0.1 mAh g -1 cycle -1) over the investigated 10 cycles.

3D porous and ultralight carbon hybrid nanostructure fabricated from carbon foam covered by monolayer of nitrogen-doped carbon nanotubes for high performance supercapacitors

NASA Astrophysics Data System (ADS)

He, Shuijian; Hou, Haoqing; Chen, Wei

2015-04-01

3D porous and self-supported carbon hybrids are promising electrode materials for supercapacitor application attributed to their prominent properties such as binder-free electrode fabrication process, excellent electric conductivity and high power density etc. We present here a facile chemical vapor deposition method to fabricate a novel 3D flexible carbon hybrid nanostructure by growing a monolayer of nitrogen-doped carbon nanotubes on the skeleton of carbon foam (N-CNTs/CF) with Fe nanoparticle as catalyst. With such 3D porous, flexible and ultralight carbon nanostructure as binder-free electrode material, large surface area is available and fast ionic transport is facilitated. Moreover, the carbon-based network can provide excellent electronic conductivity. The electrochemical studies demonstrate that the supercapacitor constructed from the N-CNTs/CF hybrid exhibit high power density of 69.3 kW kg-1 and good stability with capacitance retention ration above 95% after cycled at 50 A g-1 for 5000 cycles. Therefore, the prepared porous N-CNTs/CF nanostructure is expected to be a type of excellent electrode material for electrical double layer capacitors.

Superconductivity at 7.4 K in few layer graphene by Li-intercalation.

PubMed

Tiwari, Anand P; Shin, Soohyeon; Hwang, Eunhee; Jung, Soon-Gil; Park, Tuson; Lee, Hyoyoung

2017-11-08

Superconductivity in graphene has been highly sought after for its promise in various device applications and for general scientific interest. Ironically, the simple electronic structure of graphene, which is responsible for novel quantum phenomena, hinders the emergence of superconductivity. Theory predicts that doping the surface of the graphene effectively alters the electronic structure, thus promoting propensity towards Cooper pair instability (Profeta et al (2012) Nat. Phys. 8 131-4; Nandkishore et al (2012) Nat. Phys. 8 158-63) [1, 2]. Here we report the emergence of superconductivity at 7.4 K in Li-intercalated few-layer-graphene (FLG). The absence of superconductivity in 3D Li-doped graphite underlines that superconductivity in Li-FLG arises from the novel electronic properties of the 2D graphene layer. These results are expected to guide future research on graphene-based superconductivity, both in theory and experiments. In addition, easy control of the Li-doping process holds promise for various device applications.

Nanostructured hematite for photoelectrochemical water splitting

NASA Astrophysics Data System (ADS)

Ling, Yichuan

Solar water splitting is an environmentally friendly reaction of producing hydrogen gas. Since Honda and Fujishima first demonstrated solar water splitting in 1972 by using semiconductor titanium dioxide (TiO2) as photoanode in a photoelectrochemical (PEC) cell, extensive efforts have been invested into improving the solar-to-hydrogen (STH) conversion efficiency and lower the production cost of photoelectrochemical devices. In the last few years, hematite (alpha-Fe2O3) nanostructures have been extensively studied as photoanodes for PEC water splitting. Although nanostructured hematite can improve its photoelectrochemical water splitting performance to some extent, by increasing active sites for water oxidation and shortening photogenerated hole path length to semiconductor/electrolyte interface, the photoactivity of pristine hematite nanostructures is still limited by a number of factors, such as poor electrical conductivities and slow oxygen evolution reaction kinetics. Previous studies have shown that tin (Sn) as an n-type dopant can substantially enhance the photoactivity of hematite photoanodes by modifying their optical and electrical properties. In this thesis, I will first demonstrate an unintentional Sn-doping method via high temperature annealing of hematite nanowires grown on fluorine-doped tin oxide (FTO) substrate to enhance the donor density. In addition to introducing extrinsic dopants into semiconductors, the carrier densities of hematite can also be enhanced by creating intrinsic defects. Oxygen vacancies function as shallow donors for a number of hematite. In this regard, I have investigated the influence of oxygen content on thermal decomposition of FeOOH to induce oxygen vacancies in hematite. In the end, I have studied low temperature activation of hematite nanostructures.

THE EFFECT OF SI DOPING ON THE ELECTROCHEMICAL CHARACTERISTICS OF LiNixMnyCo(1-x-y)O2

NASA Astrophysics Data System (ADS)

Na, Seong-Hwan; Kim, Hyun-Soo; Moon, Seong-In

A new simple way of synthesizing Li[NiMnCo]O2 was contrived and its electrochemical characteristics were enhanced by Si doping using solution-based synthetic route. The newly synthesized Li[NiMnCo]O2 showed capacity of 175mAh/g and good cycle life at as high cut-off voltage as 4.5V. Si-doping improved the rate capability, specific capacity, and cycle life of the material through increasing lattice parameters and lowering electrochemical impedance.

Nanoscale surface modification of Li-rich layered oxides for high-capacity cathodes in Li-ion batteries

NASA Astrophysics Data System (ADS)

Lan, Xiwei; Xin, Yue; Wang, Libin; Hu, Xianluo

2018-03-01

Li-rich layered oxides (LLOs) have been developed as a high-capacity cathode material for Li-ion batteries, but the structural complexity and unique initial charging behavior lead to several problems including large initial capacity loss, capacity and voltage fading, poor cyclability, and inferior rate capability. Since the surface conditions are critical to electrochemical performance and the drawbacks, nanoscale surface modification for improving LLO's properties is a general strategy. This review mainly summarizes the surface modification of LLOs and classifies them into three types of surface pre-treatment, surface gradient doping, and surface coating. Surface pre-treatment usually introduces removal of Li2O for lower irreversible capacity while surface doping is aimed to stabilize the structure during electrochemical cycling. Surface coating layers with different properties, protective layers to suppress the interface side reaction, coating layers related to structural transformation, and electronic/ionic conductive layers for better rate capability, can avoid the shortcomings of LLOs. In addition to surface modification for performance enhancement, other strategies can also be investigated to achieve high-performance LLO-based cathode materials.

Confined Doping for Control of Transport Properties in Nanowires and Nanofilms

NASA Astrophysics Data System (ADS)

Zhong, Jianxin; Stocks, G. Malcolm

2006-03-01

Doping, an essential element for manipulation of electronic transport in traditional semiconductor industry, is widely expected to play important role as well in control of transport properties in nanostructures. However, traditional theory of electronic disorder predicts that doping in one-dimensional and two-dimensional systems leads to carrier localization, limiting practical applications due to poor carrier mobility. Here, a novel concept is proposed that offers the possibility to significantly increase carrier mobility by confining the distribution of dopants within a particular region [1]. Thus, the doped nanostructure becomes a coupled system comprising a doped subsystem and a perfect crystalline subsystem. We showed that carrier mobility in such a dopped nanowire or a nanofilm exhibits counterintuitive behavior in the regime of heavy doping. In particular, the larger the dopant concentration the higher the carrier mobility; we trace this transition to the existence of quasi-mobility-edges in the nanowires and mobility edges in nanofilms. *J.X. Zhong and G.M. Stocks, Nano Lett., in press, (2005)

UV-light-induced one-color and two-color photorefractive effects in congruent and near-stoichiometric LiNbO 3:Mg crystals

NASA Astrophysics Data System (ADS)

Qiao, Haijun; Xu, Jingjun; Tomita, Yasuo; Zhu, Dengsong; Fu, Bo; Zhang, Guoquan; Zhang, Guangyin

2007-03-01

We describe the ultraviolet-light one-color photorefraction (UV-OPR) at 351 nm in LiNbO3 crystals with different Mg-doping concentrations and [Li]/[Nb] ratios. It is shown that as the Mg-doping concentration and/or the [Li]/[Nb] ratio increase, the refractive index change and the two-beam coupling gain increase but the response time decreases. It is also shown that the recording sensitivity as large as ∼27 cm/J is obtainable at a recording intensity of ∼1 W/cm2 in near-stoichiometric LiNbO3 doped with 2 mol% Mg. This sensitivity is approximately one order of magnitude higher than those for other LiNbO3 crystals. We also describe the ultraviolet-light-gating two-color photorefraction (UV-TPR) using 365 nm gating and 633 nm recording beams in LiNbO3 crystals with different Mg-doping concentrations and [Li]/[Nb] ratios. It is shown that UV-TPR is only observed in near-stoichiometric crystals and the grating-formation dynamics strongly depend on the Mg concentration.

Crystal habit-tuned nanoplate material of Li[Li1/3-2x/3NixMn2/3-x/3]O₂ for high-rate performance lithium-ion batteries.

PubMed

Wei, Guo-Zhen; Lu, Xia; Ke, Fu-Sheng; Huang, Ling; Li, Jun-Tao; Wang, Zhao-Xiang; Zhou, Zhi-You; Sun, Shi-Gang

2010-10-15

A cathode for high-rate performance lithium-ion batteries (LIBs) has been developed from a crystal habit-tuned nanoplate Li(Li(0.17)Ni(0.25)Mn(0.58))O₂ material, in which the proportion of (010) nanoplates (see figure) has been significantly increased. The results demonstrate that the fraction of the surface that is electrochemically active for Li(+) transportation is a key criterion for evaluating the different nanostructures of potential LIB materials.

3D hierarchical assembly of ultrathin MnO2 nanoflakes on silicon nanowires for high performance micro-supercapacitors in Li- doped ionic liquid

PubMed Central

Dubal, Deepak P.; Aradilla, David; Bidan, Gérard; Gentile, Pascal; Schubert, Thomas J.S.; Wimberg, Jan; Sadki, Saïd; Gomez-Romero, Pedro

2015-01-01

Building of hierarchical core-shell hetero-structures is currently the subject of intensive research in the electrochemical field owing to its potential for making improved electrodes for high-performance micro-supercapacitors. Here we report a novel architecture design of hierarchical MnO2@silicon nanowires (MnO2@SiNWs) hetero-structures directly supported onto silicon wafer coupled with Li-ion doped 1-Methyl-1-propylpyrrolidinium bis(trifluromethylsulfonyl)imide (PMPyrrBTA) ionic liquids as electrolyte for micro-supercapacitors. A unique 3D mesoporous MnO2@SiNWs in Li-ion doped IL electrolyte can be cycled reversibly across a voltage of 2.2 V and exhibits a high areal capacitance of 13 mFcm−2. The high conductivity of the SiNWs arrays combined with the large surface area of ultrathin MnO2 nanoflakes are responsible for the remarkable performance of these MnO2@SiNWs hetero-structures which exhibit high energy density and excellent cycling stability. This combination of hybrid electrode and hybrid electrolyte opens up a novel avenue to design electrode materials for high-performance micro-supercapacitors. PMID:25985388

Impedance characteristics of nanoparticle-LiCoO{sub 2}+PVDF

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

Panjaitan, Elman, E-mail: elmanp@batan.go.id; Kartini, Evvy, E-mail: kartini@batan.go.id; Honggowiranto, Wagiyo

2016-02-08

The impendance of np-LiCoO{sub 2}+xPVDF, as a cathode material candidate for lithium-ion battery (LIB), has been characterized using impedance spectroscopy for x = 0, 5, 10, 15 and 20 volume percentage (%v/v) and for frequencies in the 42 Hz to 5 MHz range. Both real and imaginary components of the impedance were found to be frequency dependent, and both tend to increase for increasing PVDF (polyvinyilidene fluoride) concentration, except that for 10% PVDF both real and imaginary components of impedance are smaller than for 5%. The mechanism for relaxation time for each addition of PVDF was analyzed using Cole-Cole plots. The analysismore » showed that the relaxation times of the nanostructured LiCoO{sub 2} with PVDF additive is relatively constant. Further, PVDF addition increases the bulk resistance and decreases the bulk capacitance of the nanostructured LiCoO{sub 2}.« less

Synthesis and near-infrared fluorescence of K5NdLi2F10 nanocrystals and their dispersion with high doping concentration and long lifetime.

PubMed

Duan, Weikuan; Zhang, Yanyan; Wang, Zhongyue; Jiang, Jingyi; Liang, Chen; Wei, Wei

2014-06-07

K5NdLi2F10 nanocrystals were synthesized by a novel synthetic route in the liquid phase, which could improve the morphology and reduce the size effectively, for the first time. The luminescence intensities of the K5NdLi2F10 nanocrystals and their dispersion in polyethylene glycol 400 (PEG-400) approximate to that of neodymium doped phosphate glass (3 mol%), while the lifetimes of the nanocrystals alone and when dispersed with Nd(3+) ions (1 × 10(20) cm(-3)) are 303.4 μs and 174.6 μs respectively. Based on the Judd-Ofelt analysis, the emission quantum yield of the dispersion reaches 39.57%. In all, the K5NdLi2F10 nanocrystals and their dispersion have promising applications as liquid laser materials and biological fluorescent markers.

Effects of Silica Nanostructures in Poly(ethylene oxide)-Based Composite Polymer Electrolytes.

PubMed

Mohanta, Jagdeep; Anwar, Shahid; Si, Satyabrata

2016-06-01

The present work describes the synthesis of some poly(ethylene oxide)-based nanocomposite polymer electrolyte films using various silica nanostructures as the inorganic filler by simple solution mixing technique, in which the nature of the silica nanostructures play a vital role in modulating their electrochemical performances at room temperature. The silica nanostructures are prepared by ammonical hydrolysis of tetraethyl orthosilicate following the modified St6ber method. The resulting films are characterized by X-ray diffraction and differential scanning calorimeter to study their crystallinity. Room temperature AC impedance spectroscopy is utilized to determine the Li+ ion conductivity of the resulting films. The observed conductivity values of various NCPE films depend on the nature of silica filling as well as on their surface characteristics and also on the varying PEO-Li+ ratio, which is observed to be in the order of 10(-7)-10(-6) S cm(-1).

Internal energy transfer phenomenon and light-emission properties of γ-LiAlO2 phosphor doped with Mn2+

NASA Astrophysics Data System (ADS)

Wang, Bai-Bin; Chang, Chi-Fen; Yang, Wein-Duo

2013-07-01

γ-LiAlO2:Mn2+ phosphor was synthesized using the cellulose-citric acid sol-gel method, and its light emission and energy transfer properties were investigated. Excitation and emission spectrum analysis revealed a decrease in intensity of the spectrum as the amount of Mn2+ doping increased. Blasse's equation determined the maximum distance for energy transfer between Mn2+ ions as 4.3142 nm. Dexter's theory verifies that the mechanism of energy transfer between Mn2+ ions conforms to an electric dipole and electric quadrupole interaction.

First-principles theory of doping in layered oxide electrode materials

NASA Astrophysics Data System (ADS)

Hoang, Khang

2017-12-01

Doping lithium-ion battery electrode materials Li M O2 (M = Co, Ni, Mn) with impurities has been shown to be an effective way to optimize their electrochemical properties. Here, we report a detailed first-principles study of layered oxides LiCoO2, LiNiO2, and LiMnO2 lightly doped with transition-metal (Fe, Co, Ni, Mn) and non-transition-metal (Mg, Al) impurities using hybrid-density-functional defect calculations. We find that the lattice site preference is dependent on both the dopant's charge and spin states, which are coupled strongly to the local lattice environment and can be affected by the presence of codopant(s), and the relative abundance of the host compound's constituting elements in the synthesis environment. On the basis of the structure and energetics of the impurities and their complexes with intrinsic point defects, we determine all possible low-energy impurity-related defect complexes, thus providing defect models for further analyses of the materials. From a materials modeling perspective, these lightly doped compounds also serve as model systems for understanding the more complex, mixed-metal, Li M O2 -based battery cathode materials.

Li4 Ti5 O12 Anode: Structural Design from Material to Electrode and the Construction of Energy Storage Devices.

PubMed

Chen, Zhijie; Li, Honsen; Wu, Langyuan; Lu, Xiaoxia; Zhang, Xiaogang

2018-03-01

Spinel Li 4 Ti 5 O 12 , known as a zero-strain material, is capable to be a competent anode material for promising applications in state-of-art electrochemical energy storage devices (EESDs). Compared with commercial graphite, spinel Li 4 Ti 5 O 12 offers a high operating potential of ∼1.55 V vs Li/Li + , negligible volume expansion during Li + intercalation process and excellent thermal stability, leading to high safety and favorable cyclability. Despite the merits of Li 4 Ti 5 O 12 been presented, there still remains the issue of Li 4 Ti 5 O 12 suffering from poor electronic conductivity, manifesting disadvantageous rate performance. Typically, a material modification process of Li 4 Ti 5 O 12 will be proposed to overcome such an issue. However, the previous reports have made few investigations and achievements to analyze the subsequent processes after a material modification process. In this review, we attempt to put considerable interest in complete device design and assembly process with its material structure design (or modification process), electrode structure design and device construction design. Moreover, we have systematically concluded a series of representative design schemes, which can be divided into three major categories involving: (1) nanostructures design, conductive material coating process and doping process on material level; (2) self-supporting or flexible electrode structure design on electrode level; (3) rational assembling of lithium ion full cell or lithium ion capacitor on device level. We believe that these rational designs can give an advanced performance for Li 4 Ti 5 O 12 -based energy storage device and deliver a deep inspiration. © 2018 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Route to the Smallest Doped Semiconductor: Mn(2+)-Doped (CdSe)13 Clusters.

PubMed

Yang, Jiwoong; Fainblat, Rachel; Kwon, Soon Gu; Muckel, Franziska; Yu, Jung Ho; Terlinden, Hendrik; Kim, Byung Hyo; Iavarone, Dino; Choi, Moon Kee; Kim, In Young; Park, Inchul; Hong, Hyo-Ki; Lee, Jihwa; Son, Jae Sung; Lee, Zonghoon; Kang, Kisuk; Hwang, Seong-Ju; Bacher, Gerd; Hyeon, Taeghwan

2015-10-14

Doping semiconductor nanocrystals with magnetic transition-metal ions has attracted fundamental interest to obtain a nanoscale dilute magnetic semiconductor, which has unique spin exchange interaction between magnetic spin and exciton. So far, the study on the doped semiconductor NCs has usually been conducted with NCs with larger than 2 nm because of synthetic challenges. Herein, we report the synthesis and characterization of Mn(2+)-doped (CdSe)13 clusters, the smallest doped semiconductors. In this study, single-sized doped clusters are produced in large scale. Despite their small size, these clusters have semiconductor band structure instead of that of molecules. Surprisingly, the clusters show multiple excitonic transitions with different magneto-optical activities, which can be attributed to the fine structure splitting. Magneto-optically active states exhibit giant Zeeman splittings up to elevated temperatures (128 K) with large g-factors of 81(±8) at 4 K. Our results present a new synthetic method for doped clusters and facilitate the understanding of doped semiconductor at the boundary of molecules and quantum nanostructure.

In situ Ni-doping during cathodic electrodeposition of hematite for excellent photoelectrochemical performance of nanostructured nickel oxide-hematite p-n junction photoanode

NASA Astrophysics Data System (ADS)

Phuan, Yi Wen; Ibrahim, Elyas; Chong, Meng Nan; Zhu, Tao; Lee, Byeong-Kyu; Ocon, Joey D.; Chan, Eng Seng

2017-01-01

Nanostructured nickel oxide-hematite (NiO/α-Fe2O3) p-n junction photoanodes synthesized from in situ doping of nickel (Ni) during cathodic electrodeposition of hematite were successfully demonstrated. A postulation model was proposed to explain the fundamental mechanism of Ni2+ ions involved, and the eventual formation of NiO on the subsurface region of hematite that enhanced the potential photoelectrochemical water oxidation process. Through this study, it was found that the measured photocurrent densities of the Ni-doped hematite photoanodes were highly dependent on the concentrations of Ni dopant used. The optimum Ni dopant at 25 M% demonstrated an excellent photoelectrochemical performance of 7-folds enhancement as compared to bare hematite photoanode. This was attributed to the increased electron donor density through the p-n junction and thus lowering the energetic barrier for water oxidation activity at the optimum Ni dopant concentration. Concurrently, the in situ Ni-doping of hematite has also lowered the photogenerated charge carrier transfer resistance as measured using the electrochemical impedance spectroscopy. It is expected that the fundamental understanding gained through this study is helpful for the rational design and construction of highly efficient photoanodes for application in photoelectrochemical process.

Functionalizing Carbon Nanotubes and Related Nanostructures for Various Applications

DTIC Science & Technology

2010-10-26

Hsu-Cheng Hsu, Ying-Chieh Liao, Po-Han Tseng, Yen -Ting Chen, Zhe-Chuan Feng, Li-Wei Tu, Mitch M. C. Chou, Li-Chyong Chen*, and Kuei-Hsien Chen*, J...Final Report for AOARD Grant 09-4050 “Functionalizing Carbon Nanotubes and Related Nanostructures for Various Applications” AFOSR/AOARD...Research Fellow Institute of Atomic and Molecular Sciences, Academia Sinica PO Box 23-166, Taipei 106, Taiwan Tel: 886-2-2366-8232; Fax: 886-2-2362

SrZnO nanostructures grown on templated <0001> Al2O3 substrates by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Labis, Joselito P.; Alanazi, Anwar Q.; Albrithen, Hamad A.; El-Toni, Ahmed Mohamed; Hezam, Mahmoud; Elafifi, Hussein Elsayed; Abaza, Osama M.

2017-09-01

The parameters of pulsed laser deposition (PLD) have been optimized to design different nanostructures of Strontium-alloyed zinc oxide (SrZnO). In this work, SrZnO nanostructures are grown on <0001>Al2O3 substrates via two-step templating/seeding approach. In the temperature range between 300 - 750 oC and O2 background pressures between 0.01 and 10 Torr, the growth conditions have been tailored to grow unique pointed leaf-like- and pitted olive-like nanostructures. Prior to the growth of the nanostructures, a thin SrZnO layer that serves as seed layer/template is first deposited on the Al2O3 substrates at ˜300oC and background oxygen pressure of 10 mTorr. The optical properties of the nanostructures were examined by UV/Vis spectroscopy and photoluminescence (PL), while the structures/morphologies were examined by SEM, TEM, and XRD. The alloyed SrZnO nanostructures, grown by ablating ZnO targets with 5, 10, 25% SrO contents, have in common a single-crystal hexagonal nanostructure with (0002) preferential orientation and have shown remarkable changes in the morphological and optical properties of the materials. To date, this is the only reported work on optimization of laser ablation parameters to design novel SrZnO nanostructures in the 5-25% alloying range, as most related Sr-doped ZnO studies were done below 7% doping. Although the physical properties of ZnO are modified via Sr doping, the mechanism remains unclear. The PLD-grown SrZnO nanostructures were directly grown onto the Al2O3 substrates; thus making these nanomaterials very promising for potential applications in biosensors, love-wave filters, solar cells, and ultrasonic oscillators.

Porous α-Fe2O3 nanostructures and their lithium storage properties as full cell configuration against LiFePO4

NASA Astrophysics Data System (ADS)

Veluri, P. S.; Shaligram, A.; Mitra, S.

2015-10-01

A two step approach for synthesis of porous α-Fe2O3 nanostructures has been realized via polyol method by complexing iron oxalate with ethylene glycol. Crystalline Fe2O3 samples with different porosities are obtained by calcination of Fe-Ethylene glycol complex at various temperatures. The as-prepared porous Fe2O3 structures exhibit promising lithium storage performance at high current rates. It is observed that the calcination temperature and the resultant porosity have a significant effect on capacity and cycling stability. Samples calcined at high temperature (600 °C) demonstrates stable cycle life with capacity retention of 1077 mAh g-1 at 500 mA g-1 current rate after 50 charge-discharge cycles. Samples calcined at temperatures of 500 and 600 °C display stable cycle life and high rate capability with reversible capacity of 930 mAh g-1 and 688 mAh g-1 at 5 A g-1, respectively. Impregnation of electrodes with electrolyte before cell fabrication shows enhanced electrochemical performance. The viability of Fe2O3 porous nanostructures as prospective anode material examined against commercial LiFePO4 cathode shows promising electrochemical performance.

Nucleation and Growth of Lithium Peroxide in the Li-O2 Battery.

PubMed

Lau, Sampson; Archer, Lynden A

2015-09-09

We study the relationship between Li2O2 morphology and the electrochemical performance of the Li-O2 battery using a combination of experiment and theory. Experimental Li-O2 battery discharge curves are accurately captured by a theoretical model in which electrode performance is limited by the nucleation and growth of discrete Li2O2 nanostructures in the cathode. We further show that the characteristic sharp voltage drop widely reported at the end of discharge results from the decrease in electrochemical surface area as Li2O2 covers the cathode surface. Preventing surface nucleation is highlighted as a core strategy for increasing Li-O2 battery capacity.

Investigation of Co-incorporated pristine and Fe-doped Li3V2(PO4)3 cathode materials for lithium-ion batteries.

PubMed

Sun, Hua-Bin; Zhang, Lu-Lu; Yang, Xue-Lin; Liang, Gan; Li, Zhen

2016-10-21

Monoclinic Li 3 V 2 (PO 4 ) 3 /C (LVP/C) and Li 3 V 1.95 Fe 0.05 (PO 4 ) 3 /C (LVFP/C) composites were successfully modified by cobalt incorporation. The effects of cobalt incorporation on the structure, morphology and electrochemical performance of the LVP/C and LVFP/C composites were systematically investigated. The results show that most Co exists in the form of CoO and forms a hybrid layer with the carbon coating on the surface of the LVP and LVFP particles; moreover, a small part of Co enters into the LVP or LVFP lattices due to atomic diffusion. Compared with LVP/C and LVFP/C, Co-incorporated samples exhibit better electrochemical performance. In particular, under the common effect of doping and a hybrid layer (carbon and metal oxides) coating, the LVFP/C-Co electrode displays a prominent initial capacity of 124.7 mA h g -1 and a very low capacity fading of ∼0.04% per cycle even after 500 cycles at 20 C. This novel co-modification method with cation doping and a hybrid layer (carbon and metal oxide) coating is a highly effective way to improve the electrochemical performance and has great potential to be easily used to modify other cathode materials with poor electrical conductivity.

Self-assembled catalytic DNA nanostructures for synthesis of para-directed polyaniline.

PubMed

Wang, Zhen-Gang; Zhan, Pengfei; Ding, Baoquan

2013-02-26

Templated synthesis has been considered as an efficient approach to produce polyaniline (PANI) nanostructures. The features of DNA molecules enable a DNA template to be an intriguing template for fabrication of emeraldine PANI. In this work, we assembled HRP-mimicking DNAzyme with different artificial DNA nanostructures, aiming to manipulate the molecular structures and morphologies of PANI nanostructures through the controlled DNA self-assembly. UV-vis absorption spectra were used to investigate the molecular structures of PANI and monitor kinetic growth of PANI. It was found that PANI was well-doped at neutral pH and the redox behaviors of the resultant PANI were dependent on the charge density of the template, which was controlled by the template configurations. CD spectra indicated that the PANI threaded tightly around the helical DNA backbone, resulting in the right handedness of PANI. These reveal the formation of the emeraldine form of PANI that was doped by the DNA. The morphologies of the resultant PANI were studied by AFM and SEM. It was concluded from the imaging and spectroscopic kinetic results that PANI grew preferably from the DNAzyme sites and then expanded over the template to form 1D PANI nanostructures. The strategy of the DNAzyme-DNA template assembly brings several advantages in the synthesis of para-coupling PANI, including the region-selective growth of PANI, facilitating the formation of a para-coupling structure and facile regulation. We believe this study contributes significantly to the fabrication of doped PANI nanopatterns with controlled complexity, and the development of DNA nanotechnology.

Metal oxide nanostructures and their gas sensing properties: a review.

PubMed

Sun, Yu-Feng; Liu, Shao-Bo; Meng, Fan-Li; Liu, Jin-Yun; Jin, Zhen; Kong, Ling-Tao; Liu, Jin-Huai

2012-01-01

Metal oxide gas sensors are predominant solid-state gas detecting devices for domestic, commercial and industrial applications, which have many advantages such as low cost, easy production, and compact size. However, the performance of such sensors is significantly influenced by the morphology and structure of sensing materials, resulting in a great obstacle for gas sensors based on bulk materials or dense films to achieve highly-sensitive properties. Lots of metal oxide nanostructures have been developed to improve the gas sensing properties such as sensitivity, selectivity, response speed, and so on. Here, we provide a brief overview of metal oxide nanostructures and their gas sensing properties from the aspects of particle size, morphology and doping. When the particle size of metal oxide is close to or less than double thickness of the space-charge layer, the sensitivity of the sensor will increase remarkably, which would be called "small size effect", yet small size of metal oxide nanoparticles will be compactly sintered together during the film coating process which is disadvantage for gas diffusion in them. In view of those reasons, nanostructures with many kinds of shapes such as porous nanotubes, porous nanospheres and so on have been investigated, that not only possessed large surface area and relatively mass reactive sites, but also formed relatively loose film structures which is an advantage for gas diffusion. Besides, doping is also an effective method to decrease particle size and improve gas sensing properties. Therefore, the gas sensing properties of metal oxide nanostructures assembled by nanoparticles are reviewed in this article. The effect of doping is also summarized and finally the perspectives of metal oxide gas sensor are given.

Metal Oxide Nanostructures and Their Gas Sensing Properties: A Review

PubMed Central

Sun, Yu-Feng; Liu, Shao-Bo; Meng, Fan-Li; Liu, Jin-Yun; Jin, Zhen; Kong, Ling-Tao; Liu, Jin-Huai

2012-01-01

Metal oxide gas sensors are predominant solid-state gas detecting devices for domestic, commercial and industrial applications, which have many advantages such as low cost, easy production, and compact size. However, the performance of such sensors is significantly influenced by the morphology and structure of sensing materials, resulting in a great obstacle for gas sensors based on bulk materials or dense films to achieve highly-sensitive properties. Lots of metal oxide nanostructures have been developed to improve the gas sensing properties such as sensitivity, selectivity, response speed, and so on. Here, we provide a brief overview of metal oxide nanostructures and their gas sensing properties from the aspects of particle size, morphology and doping. When the particle size of metal oxide is close to or less than double thickness of the space-charge layer, the sensitivity of the sensor will increase remarkably, which would be called “small size effect”, yet small size of metal oxide nanoparticles will be compactly sintered together during the film coating process which is disadvantage for gas diffusion in them. In view of those reasons, nanostructures with many kinds of shapes such as porous nanotubes, porous nanospheres and so on have been investigated, that not only possessed large surface area and relatively mass reactive sites, but also formed relatively loose film structures which is an advantage for gas diffusion. Besides, doping is also an effective method to decrease particle size and improve gas sensing properties. Therefore, the gas sensing properties of metal oxide nanostructures assembled by nanoparticles are reviewed in this article. The effect of doping is also summarized and finally the perspectives of metal oxide gas sensor are given. PMID:22736968

Nitrogen-doped carbon coated silicon derived from a facile strategy with enhanced performance for lithium storage

NASA Astrophysics Data System (ADS)

Zeng, Lingxing; Liu, Renpin; Qiu, Heyuan; Chen, Xi; Huang, Xiaoxia; Xiong, Peixun; Qian, Qingrong; Chen, Qinghua; Wei, Mingdeng

2016-07-01

Silicon-based nanostructures are receiving intense interest in lithium-ion batteries (LIBs) because they have ultrahigh lithium ion storage ability. However, the fast capacity fading induced by the considerably tremendous volume changes of Si anode during the Li-ion intercalation processes as well as the low intrinsic electric conductivity have hindered its deployment. Herein, we initially developed an effective technique to synthesize the core-shell Si/nitrogen-doped carbon (Si/N-C), composite by combining in situ interfacial polymerization and decorate with melamine, followed by carbonization. When used as anode material for LIBs, the Si/N-C composite delivered a notable reversible capacity (1084 mAh g-1 at 0.2 A g-1 for 50 cycles) and high rate capability (495 mAh g-1 at 1 A g-1).

Contribution of tin in electrochemical properties of zinc antimonate nanostructures: An electrode material for supercapacitors

NASA Astrophysics Data System (ADS)

Balasubramaniam, M.; Balakumar, S.

2018-04-01

Tin (Sn) doped ZnSb2O6 nanostructures was synthesized by chemical precipitation method and was used as an electrode material for supercapacitors to explore its electrochemical stability and potentiality as energy storage materials. Their characteristic structural, morphological and compositional features were investigated through XRD, FESEM and XPS analysis. Results showed that the nanostructures have well ordered crystalline features with spherical particle morphology. As the size and morphology are the vital parameters in exhibiting better electrochemical properties, the prepared nanostructures exhibited a significant specific capacitance of 222 F/g at a current density of 0.5 A/g respectively. While charging and discharging for 1000 cycles, the capacitance retention was enhanced to 105.0% which depicts the stability and activeness of electrochemical sites present in the Sn doped ZnSb2O6 nanostructures even after cycling. Hence, the inclusion of Sn into ZnSb2O6 has contributed in improving the electrochemical properties thereby it represents itself as a potential electrode material for supercapacitors.

Tuning the nanostructures and optical properties of undoped and N-doped ZnO by supercritical fluid treatment

NASA Astrophysics Data System (ADS)

Li, Yaping; Wang, Hui-Qiong; Chu, Tian-Jian; Li, Yu-Chiuan; Li, Xiaojun; Liao, Xiaxia; Wang, Xiaodan; Zhou, Hua; Kang, Junyong; Chang, Kuan-Chang; Chang, Ting-Chang; Tsai, Tsung-Ming; Zheng, Jin-Cheng

2018-05-01

Treatment of ZnO films in a supercritical fluid (SCF) has been reported to improve the performance of devices in which the treated ZnO films are incorporated; however, the mechanism of this improvement remains unclear. In this paper, we study the transformation of the surface morphologies and emission properties of ZnO films before and after SCF treatment, establishing the relationship between the treated and untreated structures and thereby enabling tuning of the catalytic or opto-electronic performance of ZnO films or ZnO-film-based devices. Both undoped and N-doped ZnO nanostructures generated by SCF treatment of films are investigated using techniques to characterize their surface morphology (scanning electron microscopy (SEM) and atomic force microscopy (AFM)) as well as room-temperature photoluminescence (RT-PL) spectroscopy. The water-mixed supercritical CO2 (W-SCCO2) technology was found to form nanostructures in ZnO films through a self-catalyzed process enabled by the Zn-rich conditions in the ZnO films. The W-SCCO2 was also found to promote the inhibition of defect luminescence by introducing -OH groups onto the films. Two models are proposed to explain the effects of the treatment with W-SCCO2. This work demonstrates that the W-SCCO2 technology can be used as an effective tool for the nanodesign and property enhancement of functional metal oxides.

Application of gallium nitride nanostructures and nitrogen doped carbon spheres as supports for the hydrogenation of cinnamaldehyde.

PubMed

Kente, Thobeka; Dube, Sibongile M A; Coville, Neil J; Mhlanga, Sabelo D

2013-07-01

This paper reports on the synthesis and use of nanostructures of gallium nitride (GaN NSs) and nitrogen doped carbon spheres (NCSs) as support materials for the hydrogenation of cinnamaldehyde. This study provides the first investigation of GaN as a catalyst support in hydrogenation reactions. The GaN NSs were synthesized via chemical vapour deposition (CVD) in a double stage furnace (750 degrees C) while NCSs were made by CVD in a single stage furnace (950 degrees C) respectively. TEM analysis revealed that the GaN NSs were rod-like with average diameters of 200 nm, while the NCSs were solid with smoother surfaces, and with diameters of 450 nm. Pd nanoparticles (1 and 3% loadings) were uniformly dispersed on acid functionalized GaN NSs and NCS. The Pd nanoparticles had average diameters that were influenced by the type of support material used. The GaN NSs and NCSs were tested for the selective hydrogenation of cinnamaldehyde in isopropanol at 40 and 60 degrees C under atmospheric pressure. A comparative study of the activity of the nanostructured materials revealed that the order of catalyst activity was 3% Pd/GaN > 3% Pd/NCSs > 1% Pd/NCSs > 1% Pd/GaN. However, 100% selectivity to hydrocinnamaldehyde (HCALD) was obtained with 1% Pd/GaN at reasonable conversion rates.

Electrical properties of tin-doped zinc oxide nanostructures doped at different dopant concentrations

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

Nasir, M. F., E-mail: babaibaik2002@yahoo.com; Zainol, M. N., E-mail: nizarzainol@yahoo.com; Hannas, M., E-mail: mhannas@gmail.com

This project has been focused on the electrical and optical properties respectively on the effect of Tin doped zinc oxide (ZnO) thin films at different dopant concentrations. These thin films were doped with different Sn dopant concentrations at 1 at%, 2 at%, 3 at%, 4 at% and 5 at% was selected as the parameter to optimize the thin films quality while the annealing temperature is fixed 500 °C. Sn doped ZnO solutions were deposited onto the glass substrates using sol-gel spin coating method. This project was involved with three phases, which are thin films preparation, deposition and characterization. The thinmore » films were characterized using Current Voltage (I-V) measurement and ultraviolet-visible-near-infrared (UV-vis-NIR) spectrophotometer (Perkin Elmer Lambda 750) for electrical properties and optical properties. The electrical properties show that the resistivity is the lowest at 4 at% Sn doping concentration with the value 3.08 × 10{sup 3} Ωcm{sup −1}. The absorption coefficient spectrum obtained shows all films exhibit very low absorption in the visible (400-800 nm) and near infrared (NIR) (>800 nm) range but exhibit high absorption in the UV range.« less

Dye-doped nanostructure polypyrrole film for electrochemically switching solid-phase microextraction of Ni(II) and ICP-OES analysis of waste water.

PubMed

Shamaeli, Ehsan; Alizadeh, Naader

2012-01-01

A nanostructure fiber based on conducting polypyrrole synthesized by an electrochemical method has been developed, and used for electrochemically switching solid-phase microextraction (ES-SPME). The ES-SPME was prepared by the doping of eriochrome blue in polypyrrole (PPy-ECB) and used for selectively extracting the Ni(II) cation in the presence of some transition and heavy metal ions. The cation-exchange behavior of electrochemically prepared polypyrrole on stainless-steel with and without eriochrome blue (ECB) dye was characterized using ICP-OES analysis. The effects of the scan rate for electrochemical synthesis, uptake and the release potential on the extraction behavior of the PPy-ECB conductive fiber were studied. Uptake and release time profiles show that the process of electrically switched cation exchange could be completed within 250 s. The results of the present study point concerning the possibility of developing a selective extraction process for Ni(II) from waste water was explored using such a nanostructured PPy-ECB film through an electrically switched cation exchange. 2012 © The Japan Society for Analytical Chemistry

High-rate nano-crystalline Li 4Ti 5O 12 attached on carbon nano-fibers for hybrid supercapacitors

NASA Astrophysics Data System (ADS)

Naoi, Katsuhiko; Ishimoto, Shuichi; Isobe, Yusaku; Aoyagi, Shintaro

A lithium titanate (Li 4Ti 5O 12)-based electrode which can operate at unusually high current density (300 C) was developed as negative electrode for hybrid capacitors. The high-rate Li 4Ti 5O 12 electrode has a unique nano-structure consisting of unusually small nano-crystalline Li 4Ti 5O 12 (ca. 5-20 nm) grafted onto carbon nano-fiber anchors (nc-Li 4Ti 5O 12/CNF). This nano-structured nc-Li 4Ti 5O 12/CNF composite are prepared by simple sol-gel method under ultra-centrifugal force (65,000 N) followed by instantaneous annealing at 900 °C for 3 min. A model hybrid capacitor cell consisting of a negative nc-Li 4Ti 5O 12/CNF composite electrode and a positive activated carbon electrode showed high energy density of 40 Wh L -1 and high power density of 7.5 kW L -1 comparable to conventional EDLCs.

Electrically induced fluorescence Fe3+ sensing behavior of nanostructured Tiron doped polypyrrole.

PubMed

Tavoli, Farnaz; Alizadeh, Naader

2016-11-23

Nanostructured polypyrrole (PPy) film doped with Tiron was electrodeposited from aqueous solution on the surface of transparent electrode and used for sensitive, selective and rapid electrically controlled fluorescence detection of Fe 3+ in aqueous media. The fluorescence intensity of PPy-Tiron film decreases linearly in the presence of Fe 3+ by applying negative potential over a concentration range from 5.0 × 10 -8 to 1.0 × 10 -6  mol L -1 , with a relatively fast response time of less than 30 s at pH 7.4. The detection is not affected by the coexistence of other competitive metal ions such as Al 3+ , Ce 3+ , Tl 3+ , La 3+ , Bi 3+ , Cr 2+ , Mn 2+ , Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ , Zn 2+ , Cd 2+ , Hg 2+ , Pb 2+ , Na + , K + , Mg 2+ , Ca 2+ , Sr 2+ and Ba 2+ . The proposed electro-fluorescence sensor has a potential application to the determination of Fe 3+ in environmental and biological systems. The fluorescent thin film sensor was also used as a novel probe for Fe 3+ /Fe 2+ speciation in aqueous solution. Copyright © 2016 Elsevier B.V. All rights reserved.

Carbon-tuned bonding method significantly enhanced the hydrogen storage of BN-Li complexes.

PubMed

Deng, Qing-ming; Zhao, Lina; Luo, You-hua; Zhang, Meng; Zhao, Li-xia; Zhao, Yuliang

2011-11-01

Through first-principles calculations, we found doping carbon atoms onto BN monolayers (BNC) could significantly strengthen the Li bond on this material. Unlike the weak bond strength between Li atoms and the pristine BN layer, it is observed that Li atoms are strongly hybridized and donate their electrons to the doped substrate, which is responsible for the enhanced binding energy. Li adsorbed on the BNC layer can serve as a high-capacity hydrogen storage medium, without forming clusters, which can be recycled at room temperature. Eight polarized H(2) molecules are attached to two Li atoms with an optimal binding energy of 0.16-0.28 eV/H(2), which results from the electrostatic interaction of the polarized charge of hydrogen molecules with the electric field induced by positive Li atoms. This practical carbon-tuned BN-Li complex can work as a very high-capacity hydrogen storage medium with a gravimetric density of hydrogen of 12.2 wt%, which is much higher than the gravimetric goal of 5.5 wt % hydrogen set by the U.S. Department of Energy for 2015.

Interstitial effects of B and Li on the magnetic phase transition and magnetocaloric effects in Gd2In alloy

NASA Astrophysics Data System (ADS)

Yang, Yang; Xie, Yigao; Zhou, Xiaoqian; Zhong, Hui; Jiang, Qingzheng; Ma, Shengcan; Zhong, Zhenchen; Cui, Weibin; Wang, Qiang

2018-05-01

Interstitial effects of B and Li on the phase transition and magnetocaloric effect in Gd2In alloys had been studied. The antiferromagnetic (AFM) - ferromagnetic (FM) phase transition was found to be of first-order nature while ferromagnetic - paramagnetic (PM) phase transition was of second-order nature in B- or Li-doped Gd2In alloys. AFM-FM phase transition temperature was increased while FM-PM phase transition was decreased with more doping concentrations. During AFM-FM phase transition, the slope of temperature-dependent critical field (μ0Hcr) was increased by increased doping amounts. The magnetic entropy changes under small field change were enhanced by B and Li addition, which showed the beneficial effects of B and Li additions.

Doping in controlling the type of conductivity in bulk and nanostructured thermoelectric materials

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

Fuks, D.; Komisarchik, G.; Kaller, M.

2016-08-15

Doping of materials for thermoelectric applications is widely used nowadays to control the type of conductivity. We report the results of ab-initio calculations aimed at developing the consistent scheme for determining the role of impurities that may change the type of conductivity in two attractive thermoelectric classes of materials. It is demonstrated that alloying of TiNiSn with Cu makes the material of n-type, and alloying with Fe leads to p-type conductivity. Similar calculations for PbTe with small amount of Na substituting for Pb leads to p-type conductivity, while Cl substituting for Te makes PbTe an n-type material. It is shownmore » also that for nano-grained materials the n-type conductivity should be observed. The effect of impurities segregating to the grain boundaries in nano-structured PbTe is also discussed. - Highlights: • Bulk and nano-grained TE materials were analyzed by DFT. • The electronic effects on both PbTe and TiNiSn were demonstrated. • The role of impurities on the conductivity type was analyzed. • Interfacial states in nano-grained PbTe affect the conductivity type.« less

Molten Salt Synthesis and High Rate Performance of the ‘‘Desert-Rose’’ form of LiCoO2

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

H Chen; C Grey

2011-12-31

The synthesis of a novel nanostructure of LiCoO{sub 2}, and its performance as a cathode for a high-rate lithium ion battery, is described. The LiCoO{sub 2} nanostructure resembles the morphology of a known natural mineral: 'desert rose' gypsum. A range of measurement techniques are used to investigate the growth mechanism of this structure and the origin of its high rate charge/discharge properties.

High areal capacity, micrometer-scale amorphous Si film anode based on nanostructured Cu foil for Li-ion batteries

NASA Astrophysics Data System (ADS)

Si, Wenping; Sun, Xiaolei; Liu, Xianghong; Xi, Lixia; Jia, Yandong; Yan, Chenglin; Schmidt, Oliver G.

2014-12-01

We report a feasible design to fabricate micrometer-scale Si films deposited on nanostructured Cu foil as high areal capacity anodes for Li-ion batteries with excellent cycling performance. Nanostructured copper oxides are prepared by anodic oxidation of Cu foil in alkaline solution. The resultant copper oxide nanofibers function as matrix for thick Si films (1-2 μm) loading. Metallic Cu nanofibers are obtained by in-situ electrochemical reduction at low potentials, which work as electrical highways for fast electron transport and a reliable mechanical matrix to accommodate volume changes during lithium-silicon alloy/dealloy processes. The engineered thick Si film anode exhibit both high areal capacity (0.48 mAh cm-2 for 1 μm Si film and 0.6 mAh cm-2 for 2 μm Si film after 200 cycles at 0.225 mA cm-2) and excellent rate capability (0.52 mAh cm-2 at 1.05 mA cm-2 for 2 μm Si film). The 2 μm silicon film electrode is able to recover to the initial value of 1 mAh cm-2 when the current rate is set back to 0.15 mA cm-2 even after cycling at high current rates. The reported concept can be a general method for high-loading-film electrodes, which is industrial scalable and compatible with current battery manufacturing processes.

Tuning the Fabrication of Nanostructures by Low-Energy Highly Charged Ions.

PubMed

El-Said, Ayman S; Wilhelm, Richard A; Heller, Rene; Sorokin, Michael; Facsko, Stefan; Aumayr, Friedrich

2016-09-16

Slow highly charged ions have been utilized recently for the creation of monotype surface nanostructures (craters, calderas, or hillocks) in different materials. In the present study, we report on the ability of slow highly charged xenon ions (^{129}Xe^{Q+}) to form three different types of nanostructures on the LiF(100) surface. By increasing the charge state from Q=15 to Q=36, the shape of the impact induced nanostructures changes from craters to hillocks crossing an intermediate stage of caldera structures. A dimensional analysis of the nanostructures reveals an increase of the height up to 1.5 nm as a function of the potential energy of the incident ions. Based on the evolution of both the geometry and size of the created nanostructures, defect-mediated desorption and the development of a thermal spike are utilized as creation mechanisms of the nanostructures at low and high charge states, respectively.

Interlinked multiphase Fe-doped MnO2 nanostructures: a novel design for enhanced pseudocapacitive performance

NASA Astrophysics Data System (ADS)

Wang, Ziya; Wang, Fengping; Li, Yan; Hu, Jianlin; Lu, Yanzhen; Xu, Mei

2016-03-01

Structure designing and morphology control can lead to high performance pseudocapacitive materials for supercapacitors. In this work, we have designed interlinked multiphase Fe-doped MnO2 nanostructures (α-MnO2/R-MnO2/ε-MnO2) to enhance the electrochemical properties by a facile method. These hierarchical hollow microspheres assembled by interconnected nanoflakes, and with plenty of porous nanorods radiating from the spherical shells were hydrothermally obtained. The supercapacitor electrode prepared from the unique construction exhibits outstanding specific capacitance of 267.0 F g-1 even under a high mass loading (~5 mg cm-2). Obviously improved performances compared to pure MnO2 are also demonstrated with a good rate capability, high energy density (1.30 mW h cm-3) and excellent cycling stability of 100% capacitance retention after 2000 cycles at 2 A g-1. The synergistic effects of alternative crystal structures, appropriate crystallinity and optimal morphology are identified to be responsible for the observations. This rational multiphase composite strategy provides a promising idea for materials scientists to design and prepare scalable electrode materials for energy storage devices.Structure designing and morphology control can lead to high performance pseudocapacitive materials for supercapacitors. In this work, we have designed interlinked multiphase Fe-doped MnO2 nanostructures (α-MnO2/R-MnO2/ε-MnO2) to enhance the electrochemical properties by a facile method. These hierarchical hollow microspheres assembled by interconnected nanoflakes, and with plenty of porous nanorods radiating from the spherical shells were hydrothermally obtained. The supercapacitor electrode prepared from the unique construction exhibits outstanding specific capacitance of 267.0 F g-1 even under a high mass loading (~5 mg cm-2). Obviously improved performances compared to pure MnO2 are also demonstrated with a good rate capability, high energy density (1.30 mW h cm-3) and

Electrical Manipulation of Spin Qubits in Li-doped Si

NASA Astrophysics Data System (ADS)

Petukhov, Andre; Pendo, Luke; Handberg, Erin; Smelyanskiy, Vadim

2011-03-01

We propose a complete quantum computing scheme based on Li donors in Si under external biaxial stress. The qubits are encoded on the ground state Zeeman doublets and coupled via long-range spin-spin interaction mediated by acoustic phonons. This interaction is unique for Li donors in Si due to their inverted electronic structure. Our scheme takes advantage of the fact that the energy level spacing in 1 s Li-donor manifold is comparable with the magnitude of the spin-orbit interaction. As a result the Li spin qubits can be placed 100 nm apart and manipulated by a combination of external electric field and microwave field impulses. We present a specially-designed sequence of the electric field impulses which allows for a typical time of a two-qubit gate ~ ~1~ μ s and a quality factor ~10-6 . These estimates are derived from detailed microscopic calculations of the quadratic Stark effect and electron-phonon decoherence times.

The performance of hematite nanostructures in different humidity levels

NASA Astrophysics Data System (ADS)

Ahmad, W. R. W.; Mamat, M. H.; Zoolfakar, A. S.; Khusaimi, Z.; Yusof, M. M.; Ismail, A. S.; Saidi, S. A.; Rusop, M.

2018-05-01

In this study, hematite (α-Fe2O3) nanostructure were prepared in Schott vials on fluorine-doped tin oxide (FTO) coated glass substrate using the sonicated immersion method in aqueous solution with ferric chloride FeCl3ṡ6H2O as a precursor and urea NH2-CONH2 as a stabilizer. The samples were characterized for different level of humidity conditions within range 40% to 90% RH. Based on the results obtained, the hematite nanostructure exhibited good optical properties and virtuous sensor response with high sensitivity. The fabricated hematite nanostructure has revealed a good potential for humidity sensor application based on the results obtained under different levels of humidity.

Mechanochemical Synthesis of Li2MnO3 Shell/LiMO2 (M = Ni, Co, Mn) Core-Structured Nanocomposites for Lithium-Ion Batteries

PubMed Central

Noh, Jae-Kyo; Kim, Soo; Kim, Haesik; Choi, Wonchang; Chang, Wonyoung; Byun, Dongjin; Cho, Byung-Won; Chung, Kyung Yoon

2014-01-01

Core/shell-like nanostructured xLi2MnO3·(1−x)LiMO2 (M = Ni, Co, Mn) composite cathode materials are successfully synthesized through a simple solid-state reaction using a mechanochemical ball-milling process. The LiMO2 core is designed to have a high-content of Ni, which increases the specific capacity. The detrimental surface effects arising from the high Ni-content are countered by the Li2MnO3 shell, which stabilizes the nanoparticles. The electrochemical performances and thermal stabilities of the synthesized nanocomposites are compared with those of bare LiMO2. In particular, the results of time-resolved X-ray diffraction (TR-XRD) analyses of xLi2MnO3·(1−x)LiMO2 nanocomposites as well as their differential scanning calorimetry (DSC) profiles demonstrate that the Li2MnO3 shell is effective in stabilizing the LiMO2 core at high temperatures, making the nanocomposites highly suitable from a safety viewpoint. PMID:24784478

Effective Construction of High-quality Iron Oxy-hydroxides and Co-doped Iron Oxy-hydroxides Nanostructures: Towards the Promising Oxygen Evolution Reaction Application

NASA Astrophysics Data System (ADS)

Zhang, Xinyu; An, Li; Yin, Jie; Xi, Pinxian; Zheng, Zhiping; Du, Yaping

2017-03-01

Rational design of high efficient and low cost electrocatalysts for oxygen evolution reaction (OER) plays an important role in water splitting. Herein, a general gelatin-assisted wet chemistry method is employed to fabricate well-defined iron oxy-hydroxides and transitional metal doped iron oxy-hydroxides nanomaterials, which show good catalytic performances for OER. Specifically, the Co-doped iron oxy-hydroxides (Co0.54Fe0.46OOH) show the excellent electrocatalytic performance for OER with an onset potential of 1.52 V, tafel slope of 47 mV/dec and outstanding stability. The ultrahigh oxygen evolution activity and strong durability, with superior performance in comparison to the pure iron oxy-hydroxide (FeOOH) catalysts, originate from the branch structure of Co0.54Fe0.46OOH on its surface so as to provide many active edge sites, enhanced mass/charge transport capability, easy release oxygen gas bubbles, and strong structural stability, which are advantageous for OER. Meanwhile, Co-doping in FeOOH nanostructures constitutes a desirable four-electron pathway for reversible oxygen evolution and reduction, which is potentially useful for rechargeable metal-air batteries, regenerative fuel cells, and other important clean energy devices. This work may provide a new insight into constructing the promising water oxidation catalysts for practical clean energy application.

Effective Construction of High-quality Iron Oxy-hydroxides and Co-doped Iron Oxy-hydroxides Nanostructures: Towards the Promising Oxygen Evolution Reaction Application.

PubMed

Zhang, Xinyu; An, Li; Yin, Jie; Xi, Pinxian; Zheng, Zhiping; Du, Yaping

2017-03-08

Rational design of high efficient and low cost electrocatalysts for oxygen evolution reaction (OER) plays an important role in water splitting. Herein, a general gelatin-assisted wet chemistry method is employed to fabricate well-defined iron oxy-hydroxides and transitional metal doped iron oxy-hydroxides nanomaterials, which show good catalytic performances for OER. Specifically, the Co-doped iron oxy-hydroxides (Co 0.54 Fe 0.46 OOH) show the excellent electrocatalytic performance for OER with an onset potential of 1.52 V, tafel slope of 47 mV/dec and outstanding stability. The ultrahigh oxygen evolution activity and strong durability, with superior performance in comparison to the pure iron oxy-hydroxide (FeOOH) catalysts, originate from the branch structure of Co 0.54 Fe 0.46 OOH on its surface so as to provide many active edge sites, enhanced mass/charge transport capability, easy release oxygen gas bubbles, and strong structural stability, which are advantageous for OER. Meanwhile, Co-doping in FeOOH nanostructures constitutes a desirable four-electron pathway for reversible oxygen evolution and reduction, which is potentially useful for rechargeable metal-air batteries, regenerative fuel cells, and other important clean energy devices. This work may provide a new insight into constructing the promising water oxidation catalysts for practical clean energy application.

Electronic Structure, Phonon Dynamical Properties, and CO 2 Capture Capability of Na 2 - x M x Zr O 3 ( M = Li ,K): Density-Functional Calculations and Experimental Validations

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

Duan, Yuhua; Lekse, Jonathan; Wang, Xianfeng

2015-04-22

The electronic structural and phonon properties of Na 2-αM αZrO 3 (M ¼ Li,K, α = ¼ 0.0,0.5,1.0,1.5,2.0) are investigated by first-principles density-functional theory and phonon dynamics. The thermodynamic properties of CO 2 absorption and desorption in these materials are also analyzed. With increasing doping level α, the binding energies of Na 2-αLi αZrO 3 are increased while the binding energies of Na 2-α K αZrO 3 are decreased to destabilize the structures. The calculated band structures and density of states also show that, at the same doping level, the doping sites play a significant role in the electronic properties.more » The phonon dispersion results show that few soft modes are found in several doped configurations, which indicates that these structures are less stable than other configurations with different doping levels. From the calculated relationships among the chemical-potential change, the CO 2 pressure, and the temperature of the CO 2 capture reactions by Na 2-αM αZrO 3, and from thermogravimetric-analysis experimental measurements, the Li- and K-doped mixtures Na 2-αM αZrO 3 have lower turnover temperatures (T t) and higher CO 2 capture capacities, compared to pure Na 2ZrO 3. The Li-doped systems have a larger T t decrease than the K-doped systems. When increasing the Li-doping level α, the T t of the corresponding mixture Na 2-αLi αZrO 3 decreases further to a low-temperature range. However, in the case of K-doped systems Na 2-αK αZrO 3, although doping K into Na 2ZrO 3 initially shifts its T t to lower temperatures, further increases of the K-doping level α causes T t to increase. Therefore, doping Li into Na 2ZrO 3 has a larger influence on its CO 2 capture performance than the K-doped Na 2ZrO 3. Compared with pure solidsM 2ZrO 3, after doping with other elements, these doped systems’ CO 2 capture performances are improved.« less

Nanowires, nanostructures and devices fabricated therefrom

DOEpatents

Majumdar, Arun; Shakouri, Ali; Sands, Timothy D.; Yang, Peidong; Mao, Samuel S.; Russo, Richard E.; Feick, Henning; Weber, Eicke R.; Kind, Hannes; Huang, Michael; Yan, Haoquan; Wu, Yiying; Fan, Rong

2005-04-19

One-dimensional nanostructures having uniform diameters of less than approximately 200 nm. These inventive nanostructures, which we refer to as "nanowires", include single-crystalline homostructures as well as heterostructures of at least two single-crystalline materials having different chemical compositions. Because single-crystalline materials are used to form the heterostructure, the resultant heterostructure will be single-crystalline as well. The nanowire heterostructures are generally based on a semiconducting wire wherein the doping and composition are controlled in either the longitudinal or radial directions, or in both directions, to yield a wire that comprises different materials. Examples of resulting nanowire heterostructures include a longitudinal heterostructure nanowire (LOHN) and a coaxial heterostructure nanowire (COHN).

Nanocrystal doped matrixes

DOEpatents

Parce, J. Wallace; Bernatis, Paul; Dubrow, Robert; Freeman, William P.; Gamoras, Joel; Kan, Shihai; Meisel, Andreas; Qian, Baixin; Whiteford, Jeffery A.; Ziebarth, Jonathan

2010-01-12

Matrixes doped with semiconductor nanocrystals are provided. In certain embodiments, the semiconductor nanocrystals have a size and composition such that they absorb or emit light at particular wavelengths. The nanocrystals can comprise ligands that allow for mixing with various matrix materials, including polymers, such that a minimal portion of light is scattered by the matrixes. The matrixes of the present invention can also be utilized in refractive index matching applications. In other embodiments, semiconductor nanocrystals are embedded within matrixes to form a nanocrystal density gradient, thereby creating an effective refractive index gradient. The matrixes of the present invention can also be used as filters and antireflective coatings on optical devices and as down-converting layers. Processes for producing matrixes comprising semiconductor nanocrystals are also provided. Nanostructures having high quantum efficiency, small size, and/or a narrow size distribution are also described, as are methods of producing indium phosphide nanostructures and core-shell nanostructures with Group II-VI shells.

Enhanced photoluminescence of Gd2O3:Eu3+ nanophosphors with alkali (M=Li+, Na+, K+) metal ion co-doping.

PubMed

Dhananjaya, N; Nagabhushana, H; Nagabhushana, B M; Rudraswamy, B; Shivakumara, C; Narahari, K; Chakradhar, R P S

2012-02-01

Gd(1.95)Eu(0.04)M(0.01)O(3) (M=Li(+), Na(+), K(+)) nanophosphors have been synthesized by a low temperature solution combustion (LSC) method. Powder X-ray diffraction pattern (PXRD), scanning electron microscopy (SEM), UV-vis and photoluminescence (PL) measurements were carried out to characterize their structural and luminescent properties. The excitation and emission spectra indicated that the phosphor could be well excited by UV light (243 nm) and emit red light about 612 nm. The effect of alkali co-dopant on PL properties has been examined. The results showed that incorporation of Li(+), Na(+) and K(+) in to Gd(2)O(3):Eu(3+) phosphor would lead to a remarkable increase of photoluminescence. The PL intensity of Gd(2)O(3):Eu(3+) phosphor was improved evidently by co-doping with Li(+) ions whose radius is less than that of Gd(3+) and hardly with Na(+), K(+) whose radius is larger than that of Gd(3+). The effect of co-dopants on enhanced luminescence was mainly regarded as the result of a suitable local distortion of crystal field surrounding the Eu(3+) activator. These results will play an important role in seeking some more effective co-dopants. Copyright © 2011. Published by Elsevier B.V.

Layered Li-Mn-M-oxides as cathodes for Li-ion batteries:. Recent trends

NASA Astrophysics Data System (ADS)

Shaju, K. M.; Subba Rao, G. V.; Chowdari, B. V. R.

2002-12-01

There is an increasing demand for manganese (Mn) based mixed oxides which can effectively replace the presently used LiCoO2 as cathode in Li-ion batteries (LIB). The well-studied spinel, LiMn2O4 and its doped derivatives give a capacity of 100-120 mAh/g, but show capacity-fading on cycling especially above 55°C. The layered LiMnO2, isostructural to LiCoO2 (so called O3-structure) can be a viable cathode. However, studies have shown that it undergoes conversion to spinel structure on cycling and thus gives capacity-fading. Other alternative systems recently studied are: O2-structured layered Li-M-Mn-oxides with the general formula Li(2/3)+x(MyMn1-y)O2, M = Li, Ni, Co; x ≤ 0.33 and y = 0.1-0.67, O3-Li(Ni1/2Mn1/2)O2, Li(NixCo1-2xMnx)O2, and M'-substituted Li2MnO3 (M' = Ni, Co, Cr). Some of them are shown to have stable cycling performance, good rate-capability and structural stability over charge-discharge cycling in the 2.5-4.6 V region. Further, the electrochemical processes in the above mixed oxides have been shown to involve Ni2+/4+ or Cr3+/6+ redox couple, thus invoking novel ideas to develop new cathode materials. A brief review of the work done on the above O2- and O3-layered Li-Mn-M-oxides (M = metal) as cathodes for LIB is presented.

Microwave-assisted synthesis of C-doped TiO2 and ZnO hybrid nanostructured materials as quantum-dots sensitized solar cells

NASA Astrophysics Data System (ADS)

Rangel-Mendez, Jose R.; Matos, Juan; Cházaro-Ruiz, Luis F.; González-Castillo, Ana C.; Barrios-Yáñez, Guillermo

2018-03-01

The microwave-assisted solvothermal synthesis of C-doped TiO2 and ZnO hybrid materials was performed. Saccharose, titanium isopropoxide and zinc acetate were used as organic and inorganic sources for the synthesis. The influence of temperature and reaction time on the textural and optoelectronic properties of the hybrid materials was verified. Carbon quantum-dots of TiO2 and ZnO nanostructured spheres were obtained in a second pot by controlled calcination steps of the precursor hybrid materials. A carefully characterization by adsorption-desorption N2 isotherms, XRD, XPS, SEM, UV-vis/DR and electro- and photo-electrochemistry properties of the carbon quantum-dots TiO2 and ZnO spheres was performed. The photoelectrochemical activity of TiO2-C and ZnO-C films proved to be dependent on the conditions of synthesis. It was found a red-shift in the energy band gap of the semiconductors with values of 3.02 eV and 3.13 eV for the TiO2-C and ZnO-C, respectively, clearly lower than those on bare semiconductors, which is associated with the C-doping effect. From the photo-electrochemistry characterization of C-doped TiO2 and ZnO films can be concluded that the present materials have potential applications as photoelectrodes for quantum-dots sensitized solar cells.

Power generation from nanostructured PbTe-based thermoelectrics: comprehensive development from materials to modules

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

Hu, Xiaokai; Jood, Priyanka; Ohta, Michihiro

2016-01-01

In this work, we demonstrate the use of high performance nanostructured PbTe-based materials in high conversion efficiency thermoelectric modules. We fabricated the samples of PbTe-2% MgTe doped with 4% Na and PbTe doped with 0.2% PbI2 with high thermoelectric figure of merit (ZT) and sintered them with Co-Fe diffusion barriers for use as p- and n-type thermoelectric legs, respectively. Transmission electron microscopy of the PbTe legs reveals two shapes of nanostructures, disk-like and spherical. The reduction in lattice thermal conductivity through nanostructuring gives a ZT of similar to 1.8 at 810 K for p-type PbTe and similar to 1.4 atmore » 750 K for n-type PbTe. Nanostructured PbTe-based module and segmented-leg module using Bi2Te3 and nanostructured PbTe were fabricated and tested with hot-side temperatures up to 873 K in a vacuum. The maximum conversion efficiency of similar to 8.8% for a temperature difference (Delta T) of 570 K and B11% for a Delta T of 590 K have been demonstrated in the nanostructured PbTe-based module and segmented Bi2Te3/nanostructured PbTe module, respectively. Three-dimensional finite-element simulations predict that the maximum conversion efficiency of the nanostructured PbTe-based module and segmented Bi2Te3/nanostructured PbTe module reaches 12.2% for a Delta T of 570 K and 15.6% for a Delta T of 590 K respectively, which could be achieved if the electrical and thermal contact between the nanostructured PbTe legs and Cu interconnecting electrodes is further improved.« less

Work function tunability of borophene via doping: A first principle study

NASA Astrophysics Data System (ADS)

Katoch, Neha; Sharma, Munish; Thakur, Rajesh; Ahluwalia, P. K.

2018-04-01

A first principle study of structural properties, work function and electronic properties of pristine and substitutional doped borophene atomic layer with X atoms (X = F, Cl, H, Li, Na) have been carried out within the framework of density functional theory (DFT). Studied adsorption energies are high for all dopants indicating adsorption to be chemisorption type. The reduction in work function of pristine borophene has been found with n-type (Li, Na) dopants is of the order of 0.42 eV which is higher than that of the reduction in work function of borophene with p-type (F, Cl) dopants. For H dopants there is no reduction in work function of borophene. Quantum ballistic conductance has been found to modulate with doping. The quantum ballistic conductance is decreasing for doped borophene in the order Li > Cl ˜ H ˜ Na > F as compared to pristine borophene.

Thermoluminescence (TL) dosimeter of dysprosium doped strontium borate glass for different glass modifiers (Na, Li, Ca) subjected from 1 to 9 Gy doses

NASA Astrophysics Data System (ADS)

Hamzah, S. A.; Saeed, M. A.; Wagiran, H.; Hashim, I. H.

2017-10-01

This article reports TL response for different glass modifier and doping concentration. Alkali oxides (Na2O and Li2O) and alkali earth oxide (CaO) will be used as a glass modifier for strontium borate based glass. The samples were prepared by melt quenching technique. Dy2O3 concentrations ranging from 0.00 to 0.70 mol% and exposure doses of 1 to 9 Gy will be varied. All glass samples exhibit the prominent peak temperature positioned at 186 oC to 232 oC. From all the samples, one of the samples shows an excellent linearity dose response, higher TL and show good reproducibility after 5 cycles exposure which is sodium strontium borate doped with 0.1 mol% Dy2O3 (optimum concentration).

Electrical and electrochemical properties of molten salt-synthesized Li4Ti5-xSnxO12 (x=0.0, 0.05 and 0.1) as anodes for Li-ion batteries

NASA Astrophysics Data System (ADS)

Sharmila, S.; Senthilkumar, B.; Nithya, V. D.; Vediappan, Kumaran; Lee, Chang Woo; Selvan, R. Kalai

2013-11-01

Submicron-sized polyhedral Li4Ti5-xSnxO12 (x=0.0, 0.05, and 0.1) materials were successfully prepared by a single-step molten salt method. The structural, morphological, transport and electrochemical properties of the Li4Ti5-xSnxO12 were studied. X-ray diffraction patterns showed the formation of a cubic structure with a lattice constant of 8.31 Å, and the addition of dopants follows Vegard's law. Furthermore, FT-IR spectra revealed symmetric stretching vibrations of octahedral groups of MO6 lattice in Li4Ti5O12. The formation of polyhedral submicron Li4Ti5-xSnxO12 particles was inferred from FE-SEM images, and a particle size reduction was observed for Sn-doped Li4Ti5O12. The chemical composition of Ti, O and Sn was verified by EDAX. The DC electrical conductivity was found to increase with increasing temperature, and a maximum conductivity of 8.96×10-6 S cm-1 was observed at 200 °C for Li4Ti5O12. The galvanostatic charge-discharge behavior indicates that the Sn-doped Li4Ti5O12 could be used as an anode for Li-ion batteries due to its enhanced electrochemical properties.

Nanostructured nonprecious metal catalysts for oxygen reduction reaction.

PubMed

Wu, Gang; Zelenay, Piotr

2013-08-20

Platinum-based catalysts represent a state of the art in the electrocatalysis of oxygen reduction reaction (ORR) from the point of view of their activity and durability in harnessing the chemical energy via direct electrochemical conversion. However, because platinum is both expensive and scarce, its widespread implementation in such clean energy applications is limited. Recent breakthroughs in the synthesis of high-performance nonprecious metal catalysts (NPMCs) make replacement of Pt in ORR electrocatalysts with earth-abundant elements, such as Fe, Co, N, and C, a realistic possibility. In this Account, we discuss how we can obtain highly promising M-N-C (M: Fe and/or Co) catalysts by simultaneously heat-treating precursors of nitrogen, carbon, and transition metals at 800-1000 °C. The activity and durability of resulting catalysts depend greatly on the selection of precursors and synthesis chemistry. In addition, they correlate quite well with the catalyst nanostructure. While chemists have presented no conclusive description of the active catalytic site for this class of NPMCs, they have developed a designed approach to making active and durable materials, focusing on the catalyst nanostructure. The approach consists of nitrogen doping, in situ carbon graphitization, and the usage of graphitic structures (possibly graphene and graphene oxides) as carbon precursors. Various forms of nitrogen, particularly pyridinic and quaternary, can act as n-type carbon dopants in the M-N-C catalysts, assisting in the formation of disordered carbon nanostructures and donating electrons to the carbon. The CNx structures are likely a crucial part of the ORR active site(s). Noteworthy, the ORR activity is not necessarily governed by the amount of nitrogen, but by how the nitrogen is incorporated into the nanostructures. Apart from the possibility of a direct participation in the active site, the transition metal often plays an important role in the in situ formation of various

Dielectric, Piezoelectric, and Vibration Properties of the LiF-Doped (Ba0.95Ca0.05)(Ti0.93Sn0.07)O₃ Lead-Free Piezoceramic Sheets.

PubMed

Cheng, Chien-Min; Chen, Kai-Huang; Lee, Da-Huei; Jong, Fuh-Cheng; Chen, Mei-Li; Chang, Jhih-Kai

2018-01-24

By the conventional solid state reaction method, a small amount of lithium fluoride (LiF) was used as the sintering promoter to improve the sintering and piezoelectric characteristics of (Ba 0.95 Ca 0.05 )(Ti 0.93 Sn 0.07 )O₃ (BCTS) lead-free piezoceramic sheets. Using X-ray diffraction (XRD) and a scanning electron microscope (SEM), the inferences of the crystalline and surface microstructures were obtained and analyzed. Then, the impedance analyzer and d 33 -meter were used to measure the dielectric and piezoelectric characteristics. In this study, the optimum sintering temperature of the BCTS sheets decreased from 1450 °C to 1390 °C due to LiF doping. For the 0.07 wt % LiF-doped BCTS sheets sintered at 1390 °C, the piezoelectric constant (d 33 ) is 413 pC/N, the electric-mechanical coupling coefficient (k p ) is 47.5%, the dielectric loss (tan δ) is 3.9%, and the dielectric constant (ε r ) is 8100, which are all close to or even better than that of the pure undoped BCTS ceramics. The Curie temperature also improved, from 85 °C for pure BCTS to 140 °C for BCTS-0.07 LiF sheets. Furthermore, by using the vibration system and fixing 1.5 g tip mass at the end of the sheets, as the vibration frequency is 20 Hz, the proposed piezoelectric ceramic sheets also reveal a good energy harvesting performance at the maximum output peak voltage of 4.6 V, which is large enough and can be applied in modern low-power electronic products.

Quantum Chemical Insight into the LiF Interlayer Effects in Organic Electronics: Reactions between Al Atom and LiF Clusters.

PubMed

Wu, Shui-Xing; Kan, Yu-He; Li, Hai-Bin; Zhao, Liang; Wu, Yong; Su, Zhong-Min

2015-08-06

It is well known that the aluminum cathode performs dramatically better when a thin lithium fluoride (LiF) layer inserted in organic electronic devices. The doping effect induced by the librated Li atom via the chemical reactions producing AlF3 as byproduct was previously proposed as one of possible mechanisms. However, the underlying mechanism discussion is quite complicated and not fully understood so far, although the LiF interlayer is widely used. In this paper, we perform theoretical calculations to consider the reactions between an aluminum atom and distinct LiF clusters. The reaction pathways of the Al-(LiF)n (n = 2, 4, 16) systems were discovered and the energetics were theoretically evaluated. The release of Li atom and the formation of AlF3 were found in two different chemical reaction routes. The undissociated Al-(LiF)n systems have chances to change to some structures with loosely bound electrons. Our findings about the interacted Al-(LiF)n systems reveal new insights into the LiF interlayer effects in organic electronics applications.

Switching electrochromic performance improvement enabled by highly developed mesopores and oxygen vacancy defects of Fe-doped WO3 films

NASA Astrophysics Data System (ADS)

Koo, Bon-Ryul; Kim, Kue-Ho; Ahn, Hyo-Jin

2018-09-01

In recent years, owing to the capability to reversibly adjust transparency, reflection, and color by the low electric field, electrochromic devices (ECDs) have received an extensive attention for their potential use in optoelectronic applications. However, considering that the performances of the ECDs, including coloration efficiency (CE, <30.0 cm2/C) and switching speed (>10.0 s), are still low for an effective applied use, critical efforts are needed to push the development of a unique nanostructure film to improve electrochromic (EC) performances. Specifically, as the large-scale applications (e.g. refrigerators, vehicles, and airplanes) of the ECDs have been recently developed, the study for improving switching speed is urgently needed for commercialization of the devices. In this context, the present study reports a novel nanostructure film of Fe-doped WO3 films with highly developed mesopores and oxygen vacancy defects, fabricated using the Fe agent and the camphene-assisted sol-gel method. Fe-doped WO3 films with highly developed mesopores and oxygen vacancy defects show remarkable EC performances with both fast switching speed (2.8 s for the coloration speed and 0.3 s for the bleaching speed) and high CE (71.1 cm2/C). These two aspects contribute to the synergistic effects of optimized Fe doping and camphene on the films and have outstanding values as compared to previously reported results of WO3-based materials. Specifically, the fast switching speed is attributed to the shortened Li+ diffusion pathway of the highly developed mesopores; and the other is the improved electrical conductivity of the highly increased oxygen vacancy defects. In addition, the high CE value is due to an efficient charge transport as the result of a more effective electroactive contact of the morphology with highly developed mesopores, resulting in a large transmittance modulation with a small intercalated charge density.

First-principles study of Li decorated coronene graphene

NASA Astrophysics Data System (ADS)

Zhang, Yafei; Cheng, Xinlu

2017-11-01

We use the first-principles calculation based on density functional theory (DFT) to investigate the hydrogen storage of Li decorated coronene graphene. Our result indicates that single Li atom can adsorb three H2 molecules and the adsorption energy per H2 is -0.224 eV. When four Li atoms doped, the largest hydrogen gravimetric density is 6.82 wt.% and this is higher than the 2017 target by the US department of energy (DOE). Meanwhile, the adsorption energy per H2 is -0.220 eV, which is suitable for H2 molecules to store. Therefore, Li decorated coronene graphene will be a candidate for hydrogen storage materials in the future.

A review of nanostructured lithium ion battery materials via low temperature synthesis.

PubMed

Chen, Jiajun

2013-01-01

Nanostructured materials afford us new opportunities to improve the current technology for synthesizing Li ion batteries. Generating nanomaterials with new properties via an inexpensive approach offers a tremendous potential for realizing high performance Li-ion batteries. In this review, I mainly summarize some of the recent progress made, and describe the patents awarded on synthesizing nanostructured cathode materials for these batteries via low temperature wet- chemistry methods. From an economical view, such syntheses, especially hydrothermal synthesis, may offer the opportunities for significantly lowering the cost of manufacturing battery materials, while conferring distinct environmental advantages. Recent advances in in-situ (real time) X-ray diffraction for studying hydrothermal synthesis have great potential for bettering the rational design of advanced lithium-electrode materials. The development of this technique also will be discussed.

Nitrogen-Doped Three Dimensional Graphene for Electrochemical Sensing.

PubMed

Yan, Jing; Chen, Ruwen; Liang, Qionglin; Li, Jinghong

2015-07-01

The rational assembly and doping of graphene play an crucial role in the improvement of electrochemical performance for analytical applications. Covalent assembly of graphene into ordered hierarchical structure provides an interconnected three dimensional conductive network and large specific area beneficial to electrolyte transfer on the electrode surface. Chemical doping with heteroatom is a powerful tool to intrinsically modify the electronic properties of graphene due to the increased free charge-carrier densities. By incorporating covalent assembly and nitrogen doping strategy, a novel nitrogen doped three dimensional reduced graphene oxide nanostructure (3D-N-RGO) was developed with synergetic enhancement in electrochemical behaviors. The as prepared 3D-N-RGO was further applied for catechol detection by differential pulse voltammetry. It exhibits much higher electrocatalytic activity towards catechol with increased peak current and decreased potential difference between the oxidation and reduction peaks. Owing to the improved electro-chemical properties, the response of the electrochemical sensor varies linearly with the catechol concentrations ranging from 5 µM to 100 µM with a detection limit of 2 µM (S/N = 3). This work is promising to open new possibilities in the study of novel graphene nanostructure and promote its potential electrochemical applications.

Forward to cryogenic temperature: laser cooling of Yb: LuLiF crystal

NASA Astrophysics Data System (ADS)

Zhong, Biao; Luo, Hao; Lei, Yongqing; Shi, Yanling; Yin, Jianping

2017-06-01

The high quality Yb-doped fluoride crystals have broad prospects for optical refrigeration. We have laser cooled the Yb:LuLiF crystal to a temperature below the limit of current thermoelectric coolers ( 180 K). The 5% Yb:LuLiF crystal sample has a geometry of 2 mm×2 mm×5 mm and was supported by two fibers of 200 μm in diameter. They were placed in a 2×10-4 Pa vacuum chamber with an environment temperature of 294.5 K. The 1019 nm CW laser of power 38.7 W was adopted to irradiate the sample. The temperature of the sample was measured utilizing the DLT methods. After 20 minutes of laser irradiation, the 5% Yb:LuLiF crystal sample was cooled down to 182.4 K. By further optimizing experimental conditions and increasing the doped Yb concentration, the Yb:LuLiF crystal might be optically cooled below the cryogenic temperature of 123K in the near future.

Cu+ emission in Li2BPO5 material for thermoluminescence dosimetry

NASA Astrophysics Data System (ADS)

Puppalwar, S. P.; Dhoble, S. J.; Kumar, Animesh

2012-05-01

In this study, Li2BPO5 doped with Cu and that co-doped with Mg are synthesized by the wet chemical technique and exposed to γ rays of 60Co to determine their thermoluminescence (TL) properties. The X-ray diffraction technique shows the crystalline nature of the prepared material. The photoluminescence (PL) emission spectra of Li2BPO5:Cu phosphor show the strong prominent peak at 368 nm in the violet region of the visible spectrum due to the transition of 3d94s1 ↔ 3d10 of monovalent copper ion. The PL emission of Li2BPO5:Cu is enhanced by the addition of Mg. The TL glow curves of γ-irradiated Li2BPO5:Cu sample show one glow peak at 143°C, indicating that only one set of traps is being activated within the particular temperature range each with its own value of activation energy (E) and frequency factor (s). The trapping parameters associated with the prominent glow peak of Li2BPO5:Cu are calculated using the glow curve shape (Chen's) method. The release of hole/electron from defect centers at the characteristic trap site initiates the luminescence process in these materials. A linear TL response is observed in Li2BPO5:Cu in a long span of exposures. The sensitivity of Li2BPO5:Cu sample is observed to be 7.8 times that of (TLD-100) LiF:Mg, Ti.

Nanostructured zinc oxide films synthesized by successive chemical solution deposition for gas sensor applications

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

Lupan, O.; Department of Physics, University of Central Florida, 4000 Central Florida Blvd., Orlando, FL 32816-2385; Chow, L.

2009-01-08

Nanostructured ZnO thin films have been deposited using a successive chemical solution deposition method. The structural, morphological, electrical and sensing properties of the films were studied for different concentrations of Al-dopant and were analyzed as a function of rapid photothermal processing temperatures. The films were investigated by X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy, X-ray photoelectron and micro-Raman spectroscopy. Electrical and gas sensitivity measurements were conducted as well. The average grain size is 240 and 224 A for undoped ZnO and Al-doped ZnO films, respectively. We demonstrate that rapid photothermal processing is an efficient method for improving themore » quality of nanostructured ZnO films. Nanostructured ZnO films doped with Al showed a higher sensitivity to carbon dioxide than undoped ZnO films. The correlations between material compositions, microstructures of the films and the properties of the gas sensors are discussed.« less

Adsorption of DNA/RNA nucleobases onto single-layer MoS2 and Li-Doped MoS2: A dispersion-corrected DFT study

NASA Astrophysics Data System (ADS)

Sadeghi, Meisam; Jahanshahi, Mohsen; Ghorbanzadeh, Morteza; Najafpour, Ghasem

2018-03-01

The kind of sensing platform in nano biosensor plays an important role in nucleic acid sequence detection. It has been demonstrated that graphene does not have an intrinsic band gap; therefore, transition metal dichalcogenides (TMDs) are desirable materials for electronic base detection. In the present work, a comparative study of the adsorption of the DNA/RNA nucleobases [Adenine (A), Cytosine (C) Guanine (G), Thymine (T) and Uracil (U)] onto the single-layer molybdenum disulfide (MoS2) and Li-doped MoS2 (Li-MoS2) as a sensing surfaces was investigated by using Dispersion-corrected Density Functional Theory (D-DFT) calculations and different measure of equilibrium distances, charge transfers and binding energies for the various nucleobases were calculated. The results revealed that the interactions between the nucleobases and the MoS2 can be strongly enhanced by introducing metal atom, due to significant charge transfer from the Li atom to the MoS2 when Lithium is placed on top of the MoS2. Furthermore, the binding energies of the five nucleobases were in the range of -0.734 to -0.816 eV for MoS2 and -1.47 to -1.80 eV for the Li-MoS2. Also, nucleobases were adsorbed onto MoS2 sheets via the van der Waals (vdW) force. This high affinity and the renewable properties of the biosensing platform demonstrated that Li-MoS2 nanosheet is biocompatible and suitable for nucleic acid analysis.

Photoconductivity in nanostructured sulfur-doped V2O5 thin films

NASA Astrophysics Data System (ADS)

Mousavi, M.; Yazdi, Sh. Tabatabai

2016-03-01

In this paper, S-doped vanadium oxide thin films with doping levels up to 40 at.% are prepared via spray pyrolysis method on glass substrates, and the effect of S-doping on the structural and photoconductivity related properties of β-V2O5 thin films is studied. The results show that most of the films have been grown in the tetragonal β-V2O5 phase structure with the preferred orientation along [200]. With increasing the doping level, the samples tend to be amorphous. The structure of the samples reveals to be nanobelt-shaped whose width decreases from nearly 100 nm to 40 nm with S concentration. The photoconductivity measurements show that by increasing the S-doping level, the photosensitivity increases, which is due to the prolonged electron’s lifetime as a result of enhanced defect states acting as trap levels.