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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Improving thermal and electrochemical performances of LiCoO{sub 2} cathode at high cut-off charge potentials by MF{sub 3} (M=Ce, Al) coating

Highlights: • Fluoride metal is successfully coated on the surface of LiCoO{sub 2}. • Easy and scalable method is adopted for the synthesis of coated-LiCoO{sub 2}. • Appropriate amount of AlF{sub 3} or CeF{sub 3} is beneficial to reduce cation disorder. • The electrochemical performances of coated LiCoO{sub 2} is significantly enhanced at higher potential (cycling efficiency and reversible capacity). • The coated cathode exhibits excellent thermal stability highlighted by calorimetric technique. - Abstract: Surface coating of LiCoO{sub 2} remained one of the efficient methods to enhance its electrochemical and thermal performances, especially at high cut-off potential. In this work, MF{sub 3} (M = Ce, Al) coated LiCoO{sub 2} was synthesized via co-precipitation method followed by a solid state reaction at 400 °C. The morphology and structure of the modified cathode material were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the fluoride compound MF{sub 3} is successfully coated on the surface of LiCoO{sub 2} cathode particles with an average layer thickness about 12 nm and 40 nm for AlF{sub 3} and CeF{sub 3}, respectively. The electrochemical tests show that the AlF{sub 3}-coating layer significantly enhances the cycling performance of LiCoO{sub 2} cathode material, even at high cut-off potential. While the bare LiCoO{sub 2} cathode displays fast fading at 4.6 V vs. Li{sup +}/Li cutoff potential, the surface-modified electrode exhibits the great capacity of 160 mAh g{sup −1} with excellent capacity retention on several cycles. We concluded that the electrochemical and the thermal enhancement at high potential are ascribed to the presence of MF{sub 3} coating layer which prevent the side reaction during the charge discharge process, alleviate the attack by the acidic electrolyte and reduce the damage of electrode structure.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Ionic Liquid-Enhanced Interfaces to Boost Reactive C O2 Capture

The addition of ionic liquids (ILs) to a mixture containing a molecular solvent and other ionic species can induce the heterogeneous redistribution of cations and anions at the gas–liquid interface. This nonuniform redistribution of cations and anions driven by the differences in the solvophilicity of ions can improve the thermophysical and interfacial properties of such mixtures, creating a local chemical environment that is conducive to some reactions. In this work, ILs are added to a mixture of potassium hydroxide (KOH) and ethylene glycol (EG), used as a reactive absorbent and electrolyte in the migration-assisted moisture-gradient (MAMG) process for CO 2 capture. Molecular dynamics (MD) simulations are employed to probe into the effects of complex ion–ion and ion–solvent interactions and to examine the chemical composition at the gas–liquid interface. A total of 12 systems are investigated using molecular simulations to identify trends in the performance of IL additives based on the choice of cation, anion, and IL concentration. The cation effects are studied using IL additives based on 1-ethyl-3-methylimidazolium ([EMIM] + ) and 1-butyl-3-methylimidazolium ([BMIM] + ), while the impact of anions is examined using additives based on dicyanamide [DCA] − , triflate [TfO] − , bistriflimide [NTf 2 ] − , and hexafluorophosphate [PF 6 ] − anions, respectively. The influence of the IL concentration is also evaluated at molar concentrations between 1% and 4%. The simulation results indicate that the use of IL additives can affect the physical CO 2 solubility, surface tension, and the localization of CO 2 around the [OH] − ions at the gas–liquid interface. It is also evident that the choice of cations, anions, and IL concentration determines the extent to which the IL additives impact the local physicochemical properties. Physical dissolution, diffusive transport, and interaction with [OH] − are critical intermediate steps toward reactive CO 2 capture using a liquid absorbent. Hence, the improvement in one or more of these properties, aided by IL additives, is expected to improve the overall CO 2 capture performance. Experiments reaffirmed the impact of IL additives on CO 2 capture performance and the sensitivity to the choice of the cation, anion, and concentration of the IL additive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

In Situ Measurement of Buried Electrolyte–Electrode Interfaces for Solid State Batteries with Nanometer Level Precision

Many technologies including high-energy solid-state batteries rely on high quality solid–solid interfaces. Solid–solid interfaces are particularly difficult to study as their nature requires the interface to be buried. Here, in this work, we demonstrate the use of a combination of neutron reflectometry and in situ electrochemistry to measure the interface between Li metal and the solid electrolyte LiPON across an 8 cm 2 area. Neutron reflectometry measurements confirm the interphase to be less than 7 nm thick. The neutron reflectometry data further emphasize that the interphase that forms is a chemical gradient consisting of a Li-rich layer that gradually decreases in Li content until it blends into pure LiPON. Experimental confirmation that we can make ideal solid–solid interphases less than 10 nm thick will help facilitate the adoption of high efficiency next generation solid state batteries. Further this combination of complementary techniques provides a more general methodology for studying buried solid–solid interfaces across applications.

25 ENERGY STORAGE↗
DOE OSTI2022

Engineering Magnetic Anisotropy and Emergent Multidirectional Soft Ferromagnetism in Ultrathin Freestanding LaMnO 3 Films

We report the combination of small coercive fields and weak magnetic anisotropy makes soft ferromagnetic films extremely useful for nanoscale devices that need to easily switch spin directions. However, soft ferromagnets are relatively rare, particularly in ultrathin films with thicknesses of a few nanometers or less. We have synthesized large-area, high-quality, ultrathin freestanding LaMnO 3 films on Si and found unexpected soft ferromagnetism along both the in-plane and out-of-plane directions when the film thickness was reduced to 4 nm. We argue that the vanishing magnetic anisotropy between the two directions is a consequence of two coexisting magnetic easy axes in different atomic layers of the LaMnO 3 film. Spectroscopy measurements reveal a change in Mn valence from 3+ in the film interior to approximately 2+ at the surfaces where considerable hydrogen infiltration occurs due to the water dissolving process. First-principles calculations show that protonation of LaMnO 3 decreases valence and Our the Mn switches the magnetic easy axis from in-plane to out-of-plane as the Mn valence approaches 2+ from its 3+ bulk value. Our work demonstrates that ultrathin freestanding films can exhibit functional properties that are absent in homogeneous materials, concomitant with their convenient compatibility with Si-based devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Electronic structure of Fe/MgO/Fe multilayer stack by X-ray magnetic circular dichroism

The interface properties of Fe/MgO/Fe multilayer stack were investigated by using X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD). The magnetic multilayers were deposited by electron beam evaporation method, which exhibits the attributes of perpendicular magnetic anisotropy (PMA). XAS analysis shows that Fe-layer forms a Fe-O-rich interface region with MgO-layer and a sum-rule analysis of the XMCD estimates the average magnetic moment of 2.31 ± 0.1 μ{sub B} per Fe-atom. XAS and XMCD studies indicate the formation of a heterostructure (Fe/FeO/Fe{sub 2}O{sub 3}) on the interface. A phase transition in Fe-O stoichiometry at interface is also observed at low temperature (90 K), which may be useful in magnetic storage technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Local magnetoresistance in Fe/MgO/Si lateral spin valve at room temperature

Room temperature local magnetoresistance in two-terminal scheme is reported. By employing 1.6 nm-thick MgO tunnel barrier, spin injection efficiency is increased, resulting in large non-local magnetoresistance. The magnitude of the non-local magnetoresistance is estimated to be 0.0057 Ω at room temperature. As a result, a clear rectangle signal is observed in local magnetoresistance measurement even at room temperature. We also investigate the origin of local magnetoresistance by measuring the spin accumulation voltage of each contact separately.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Tuning exchange bias in Fe/γ-Fe{sub 2}O{sub 3} core-shell nanoparticles: Impacts of interface and surface spins

A comparative study has been performed of the exchange bias (EB) effect in Fe/γ-Fe{sub 2}O{sub 3} core-shell nanoparticles with the same thickness of the γ-Fe{sub 2}O{sub 3} shell (∼2 nm) and the diameter of the Fe core varying from 4 nm to 11 nm. Transmission electron microscopy (TEM) and high-resolution TEM confirmed the high quality of the core-shell nanostructures. A systematic analysis of magnetization versus magnetic field measurements under zero-field-cooled and field-cooled regimes using the Meiklejohn-Bean model and deconvoluting superparamagnetic and paramagnetic contribution to the total magnetic moment Langevin function shows that there exists a critical particle size (∼10 nm), above which the spins at the interface between Fe and γ-Fe{sub 2}O{sub 3} contribute primarily to the EB, but below which the surface spin effect is dominant. Our finding yields deeper insight into the collective contributions of interface and surface spins to the EB in core-shell nanoparticle systems, knowledge of which is the key to manipulating EB in magnetic nanostructures for spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of hydrogen patterning gas on electric and magnetic properties of perpendicular magnetic tunnel junctions

To identify the degradation mechanism in magnetic tunnel junctions (MTJs) using hydrogen, the properties of the MTJs were measured by applying an additional hydrogen etch process and a hydrogen plasma process to the patterned MTJs. In these studies, an additional 50 s hydrogen etch process caused the magnetoresistance (MR) to decrease from 103% to 14.7% and the resistance (R) to increase from 6.5 kΩ to 39 kΩ. Moreover, an additional 500 s hydrogen plasma process decreased the MR from 103% to 74% and increased R from 6.5 kΩ to 13.9 kΩ. These results show that MTJs can be damaged by the hydrogen plasma process as well as by the hydrogen etch process, as the atomic bonds in MgO may break and react with the exposed hydrogen gas. Compounds such as MgO hydrate very easily. We also calculated the damaged layer width (DLW) of the patterned MTJs after the hydrogen etching and plasma processes, to evaluate the downscaling limitations of spin-transfer-torque magnetic random-access memory (STT-MRAM) devices. With these calculations, the maximum DLWs at each side of the MTJ, generated by the etching and plasma processes, were 23.8 nm and 12.8 nm, respectively. This result validates that the hydrogen-based MTJ patterning processes cannot be used exclusively in STT-MRAMs beyond 20 nm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Achieving perpendicular anisotropy in half-metallic Heusler alloys for spin device applications

Various full Heusler alloys are interfaced with MgO and the magnetic properties of the Heusler-MgO junctions are studied. Next to MgO, the cubic Heusler system distorts to a tetragonal one, thereby inducing an anisotropy. The half-metallicity and nature of anisotropy (in-plane or perpendicular) in the Heusler-MgO system is governed mostly by the interface Heusler layers. There is a trend that Mn-O bonding near the MgO-Heusler junction results in perpendicular anisotropy. The ability to remain half-metallic and have perpendicular anisotropy makes some of these alloys potential candidates as free-layers in Spin Transfer Torque Random Access Memory (STT-RAM) devices, particularly, Cr{sub 2}MnAs-MgO system with MnAs interface layers and Co{sub 2}MnSi-MgO system with Mn{sub 2} interface layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Role of the interface on radiation damage in the SrTiO{sub 3}/LaAlO{sub 3} heterostructure under Ne{sup 2+} ion irradiation

We systematically investigated the microstructural evolution of heteroepitaxial SrTiO{sub 3} (STO) thin films grown on a single crystal LaAlO{sub 3} (LAO) (001) substrate, focusing on the response of the STO/LAO interface to Ne{sup 2+} irradiation at room temperature. Cross sectional transmission electron microscope (TEM) analysis reveals that the LAO crystal amorphizes first after a relatively low dose of damage followed by the amorphization of the STO film after irradiation to a higher dose. While the critical dose to amorphize differs between each material, amorphization begins at the interface and proceeds outward in both cases. Thus, a crystalline/amorphous interface first forms at the STO/LAO interface by a dose of 1 dpa, and then an amorphous/amorphous interface forms when the dose reaches 3 dpa. Scanning TEM and x-ray energy dispersive spectroscopy indicate no significant heavy cation elemental diffusion, though electron energy loss spectroscopy reveals a redistribution of oxygen across the film/substrate interface after Ne{sup 2+} irradiation. Atomistic calculations are used to interpret the experimental findings in terms of the defect properties in each of the two component phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Diffusion and impurity segregation in hydrogen-implanted silicon carbide

Diffusion and segregation behavior of hydrogen and oxygen in silicon carbide subjected to H implantation and subsequent annealing were studied with a number of analytical techniques including Secondary Ion Mass Spectrometry (SIMS), Rutherford backscattering spectrometry in channeling geometry, field emission scanning electron microscopy, optical microscopy, cross-sectional transmission electron microscopy, and atomic force microscopy. H{sup +} implantation was carried out with energies of 200 keV, 500 keV, or 1 MeV to doses of 1 × 10{sup 16}, 1 × 10{sup 17}, or 2 × 10{sup 17} ion/cm{sup 2}, and thermal treatment was conducted in flowing argon for 1 to 2 h at temperatures of 740, 780, 1000, or 1100 °C. The process of migration and eventual loss of hydrogen in a point defect regime is postulated to proceed to a large extent through ionized vacancies. This conclusion was derived from the observed substantial difference in H mobilities in n- vs. p-type SiC as the population of ionized vacancies is governed by the Fermi-Dirac statistics, i.e., the position of the Fermi level. For higher doses, a well defined buried planar zone forms in SiC at the maximum of deposited energy, comprising numerous microvoids and platelets that are trapping sites for hydrogen atoms. At a certain temperature, a more or less complete exfoliation of the implanted layer is observed. For a 1 MeV implant heated to 1100 °C in nominally pure argon, SIMS profiling reveals a considerable oxygen peak of 10{sup 16} O atoms/cm{sup 2} situated at a depth close to that of the peak of the implanted H{sup +}. Similarly, 1100 °C annealing of a 200 keV implant induces the formation of a thin oxide (4 nm), located at the interface between the implanted layer and the substrate as evidenced by both SIMS and HRTEM. The measurements were taken on the part of the sample that remained un-exfoliated. In view of a lack of convincing evidence that a hexagonal SiC might contain substantial amounts of oxygen, further investigation is under way to elucidate its presence in the irradiation-damaged films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interfacial degradation effects of aqueous solution-processed molybdenum trioxides on the stability of organic solar cells evaluated by a differential method

The authors investigate the influence of two hole interfacial materials poly (3,4-ethylenedioxythiophene):poly (styrenesulfonate) (PEDOT:PSS) and aqueous solution-processed MoO{sub 3} (sMoO{sub 3}) on cell stability. sMoO{sub 3}-based device demonstrated obviously improved stability compared to PEDOT:PSS-based one. Current-voltage characteristics analysis is carried out to investigate the effect of the hole interfacial layers on the cell stability. The formation of additional trap states at the interfaces between the hole interfacial layer and the active layer in degraded devices is verified by a differential method. Improved cell stability is attributed to a relatively stable sMoO{sub 3} interfacial layer compared to PEDOT:PSS by comparing their different trap states distributions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal annealing study on P3HT: PCBM based bulk heterojunction organic solar cells using impedance spectroscopy

Recently, Thermal annealing is an important process for bulk heterojunction organic solar cells (BHJ OSCs) to improve the device efficiency and performance of the organic solar cells. Here in, we have examined the changes in the efficiency and morphology of P3HT: PCBM film according to the thermal annealing temperature to find the changes during the annealing process by measuring the optical absorption, atomic force microscope and X-ray diffraction. We also investigated the effect of different annealing process conditions (without, pre- and post-annealing) on the device performance of the inverted bulk heterojunction organic solar cells consist the structure of ITO/ ZnO / P3HT: PCBM / MoO{sub 3}/ Al by measuring AC impedance characteristics. Particularly, the power conversion efficiency (PCE), crystalline nature of the polymer, light absorption and the surface smoothness of P3HT: PCBM films are significantly improved after the annealing process. These results indicated the improvement in terms of PCE, interface smoothness between the P3HT: PCBM and MoO{sub 3} layers of the post annealed device originated from the decrease of series resistance between P3HT: PCBM layer and Al electrodes, which could be due to decrease in the effective life time of charge carriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Voltage-controlled inversion of tunnel magnetoresistance in epitaxial nickel/graphene/MgO/cobalt junctions

We report on the fabrication and characterization of vertical spin-valve structures using a thick epitaxial MgO barrier as spacer layer and a graphene-passivated Ni film as bottom ferromagnetic electrode. The devices show robust and scalable tunnel magnetoresistance, with several changes of sign upon varying the applied bias voltage. These findings are explained by a model of phonon-assisted transport mechanisms that relies on the peculiarity of the band structure and spin density of states at the hybrid graphene|Ni interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fermi level pinning induced electrostatic fields and band bending at organic heterojunctions

The energy level alignment at interfaces between organic semiconductors is of direct relevance to understand charge carrier generation and recombination in organic electronic devices. Commonly, work function changes observed upon interface formation are interpreted as interface dipoles. In this study, using ultraviolet and X-ray photoelectron spectroscopy, complemented by electrostatic calculations, we find a huge work function decrease of up to 1.4 eV at the C{sub 60} (bottom layer)/zinc phthalocyanine (ZnPc, top layer) interface prepared on a molybdenum trioxide (MoO{sub 3}) substrate. However, detailed measurements of the energy level shifts and electrostatic calculations reveal that no interface dipole occurs. Instead, upon ZnPc deposition, a linear electrostatic potential gradient is generated across the C{sub 60} layer due to Fermi level pinning of ZnPc on the high work function C{sub 60}/MoO{sub 3} substrate, and associated band-bending within the ZnPc layer. This finding is generally of importance for understanding organic heterojunctions when Fermi level pinning is involved, as induced electrostatic fields alter the energy level alignment significantly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Sharp chemical interface in epitaxial Fe{sub 3}O{sub 4} thin films

Chemically sharp interface was obtained on single phase single oriented Fe{sub 3}O{sub 4} (001) thin film (7 nm) grown on NiO (001) substrate using oxygen assisted molecular beam epitaxy. Refinement of the atomic structure, stoichiometry, and oxygen vacancies were determined by soft and hard x-ray photoelectron spectroscopy, low energy electron diffraction and synchrotron based X-ray reflectivity, and X-ray diffraction. Our results demonstrate an epitaxial growth of the magnetite layer, perfect iron stoichiometry, absence of oxygen vacancies, and the existence of an intermixing free interface. Consistent magnetic and electrical characterizations are also shown.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Magnetic anisotropy of [Co{sub 2}MnSi/Pd]{sub n} superlattice films prepared on MgO(001), (110), and (111) substrates

Superlattice films with full-Heusler Co{sub 2}MnSi (CMS) alloy and Pd layers prepared on Pd-buffered MgO(001), (110), and (111) substrates were investigated. Crystal orientation and epitaxial relationship of Pd and CMS layers were analyzed from x-ray diffraction, pole figure measurements, and transmission electron microscope observation. Formation of the L2{sub 1}-ordered structure in the CMS layers was confirmed by observation of CMS(111) diffraction. Perpendicular magnetic anisotropy (PMA) was obtained in the [CMS (0.6 nm)/Pd (2 nm)]{sub 6} superlattice film formed using MgO(111) substrates although other superlattice films prepared using MgO(001) and (110) substrates showed in-plane and isotropic magnetic anisotropy, respectively. The perpendicular magnetic anisotropy energy constant K for the superlattice films prepared using MgO(111) substrate was estimated to be 2.3 Mergs/cm{sup 3}, and an interfacial anisotropy constant K{sub i} per one CMS-Pd interface in the superlattice films was estimated to be 0.16 ergs/cm{sup 2}. K{sub i} in superlattice films with various crystal orientations showed positive values, indicating that Pd/CMS interfaces had an ability to induce PMA regardless of their crystal orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗