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At least 595 records · Page 33

Synthesis of thin film containing 4-amino-1,2,4-triazole iron(II) complexes

The Iron(II) complex with 4-amino-1,2,4 triazole (NH{sub 2}-trz) ligand has potential applications as smart material since the compounds show a distinct color change from lilac at low temperature to colorless at high temperature. The lilac color of the complex represent the diamagnetic low spin state while the colorless correspond to the paramagnetic high spin state of iron(II). The transition between the two states could be tuned by changing the anionic group. Generally, the complex was synthesized directly from aqueous solution of iron(II) salt with considerable amounts of NH{sub 2}-trz solution produced solid powder compound. For application as an electronic molecular device, the complex should be obtained as a thin film. The transparent [Fe(NH{sub 2}trz){sub 3}]-Nafion film has been successfully obtained, however, no anion variation can be produced since the nafion is an anionic resin. In this work, the [Fe(NH{sub 2}trz){sub 3}]-complexes with several anions have been synthesized inside nata de coco membrane that commonly used as a medium for deposition metal nano-particles. After drying the membrane containing the complex became a thin film. At room temperature, the film containing iron(II) complexes of sulphate and nitrate salts show lilac color, similar to that of the original complexes in the powder form. On heating, the color of the complex film changed to colorless and this color change was observed reversibly. In contrast, the films containing perchlorate and tetrafluoroborate iron(II) complexes are colorless at room temperature and changed to lilac on cooling. The significant color changing of the iron(II)complexes in the nata de coco film can be used for demonstration thermo chromic effect of smart materials with relatively small amount of the compounds.

36 MATERIALS SCIENCE↗

Evolution of iron-containing defects during processing of Si solar cells

The formation of iron-containing defects was studied during the fabrication process of a Si solar cell. Three Cz-Si crystals with different iron content in the feedstock were grown for the study. Iron-containing defects in and near-to the n{sup +}p-junction volume (NJV) of the cells are formed directly after phosphorus diffusion due to an inflow of iron atoms from the dissolving iron-silicide precipitates. These NJV-defects strongly affect the dark saturation current of the junctions. Partial dissolution or gettering of the NJV-defects during formation of the antireflection coating is accompanied by an increase in defect concentrations in the bulk of the cell. Further deterioration of bulk carrier lifetime during the formation of electrical contacts is related to the partial dissolution of remaining iron-silicide precipitates during the firing process. A general description of the defect evolution in iron-contaminated wafers during solar cell processing is presented and possible strategies for reducing the influence of iron-containing defects are proposed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Low threshold lasing of bubble-containing glass microspheres by non-whispering gallery mode excitation over a wide wavelength range

Bubble-containing Nd{sup 3+}-doped tellurite glass microspheres were fabricated by localized laser heating technique to investigate their optical properties for use as microresonators. Fluorescence and excitation spectra measurements were performed by pumping with a tunable CW-Ti:Sapphire laser. The excitation spectra manifested several sharp peaks due to the conventional whispering gallery mode (WGM) when the pumping laser was irradiated to the edge part of the microsphere. However, when the excitation light was irradiated on the bubble position inside the microsphere, “non-WGM excitation” was induced, giving rise to numerous peaks at a broad wavelength range in the excitation spectra. Thus, efficient excitation was achieved over a wide wavelength range. Lasing threshold excited at the bubble position was much lower than that for the excitation at the edges of the microsphere. The lowest value of the laser threshold was 34 μW for a 4 μm sphere containing a 0.5 μm bubble. Efficiency of the excitation at the bubble position with broadband light was calculated to be 5 times higher than that for the edge of the microsphere. The bubble-containing microsphere enables efficient utilization of broadband light excitation from light-emitting diodes and solar light.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electric field dynamics in nitride structures containing quaternary alloy (Al, In, Ga)N

Molecular beam epitaxy growth and basic physical properties of quaternary AlInGaN layers, sufficiently thick for construction of electron blocking layers (EBL), embedded in ternary InGaN layers are presented. Transmission electron microscopy (TEM) measurement revealed good crystallographic structure and compositional uniformity of the quaternary layers contained in other nitride layers, which are typical for construction of nitride based devices. The AlInGaN layer was epitaxially compatible to InGaN matrix, strained, and no strain related dislocation creation was observed. The strain penetrated for limited depth, below 3 nm, even for relatively high content of indium (7%). For lower indium content (0.6%), the strain was below the detection limit by TEM strain analysis. The structures containing quaternary AlInGaN layers were studied by time dependent photoluminescence (PL) at different temperatures and excitation powers. It was shown that PL spectra contain three peaks: high energy donor bound exciton peak from the bulk GaN (DX GaN) and the two peaks (A and B) from InGaN layers. No emission from quaternary AlInGaN layers was observed. An accumulation of electrons on the EBL interface in high-In sample and formation of 2D electron gas (2DEG) was detected. The dynamics of 2DEG was studied by time resolved luminescence revealing strong dependence of emission energy on the 2DEG concentration. Theoretical calculations as well as power-dependence and temperature-dependence analysis showed the importance of electric field inside the structure. At the interface, the field was screened by carriers and could be changed by illumination. From these measurements, the dynamics of electric field was described as the discharge of carriers accumulated on the EBL.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Design of a containment apparatus for synchrotron XAS measurements of radioactive fluid samples under high temperatures and pressures

The simple working principles and versatility of the hydrothermal diamond-anvil cell (HDAC) make it signifcantly useful for synchrotron x-ray studies of aqueous and fluid samples at high pressure-temperature (P-T) conditions. Yet, safety concerns need to be overcome in order to use the HDAC for synchrotron studies of aqueous radioactive samples at high temperatures and pressures. For accomplishment of such hydrothermal experiments of radioactive materials at synchrotron beamlines, the samples are required to be enclosed in a containment system employing three independent layers of airtight sealing at some synchrotron facilities while enabling access to the sample using several experimental probes, including incoming and outgoing x-rays. In this article, we report the design and implementation of a complete radiological safety enclosure system for an HDAC specialized for high P-T x-ray absorption spectroscopy (XAS) measurements of aqueous solutions containing the actinides at synchrotron beamlines. The enclosure system was successfully tested for XAS experiments using the HDAC with aqueous samples containing depleted uranium at temperatures ranging from 25 to 500 °C and pressures ranging from vapor pressure to 350 MPa.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Laser heating dynamics and glow spectra of carbon-, titanium- and erbium-containing optothermal fibre converters for laser medicine

Titanium- and erbium-containing optothermal fibre converters of laser radiation mounted at the distal end of quartz – quartz optical fibre are discussed for the first time. Technology of fabricating such converters is described. Carbon-containing converters are also considered. The laser heating dynamics of the converters and the glow spectra are studied by irradiating converters of each type by a 980 ± 10 nm semiconductor laser with an average power up to 4 W. It is shown that alongside with broadband thermal radiation accompanying the laser heating of all three types of converters in the temperature range 600 – 1100 °C, only in the spectrum of the erbium-containing converter the intense bands with the maxima at wavelengths 493, 523, 544, 660, and 798 nm, corresponding to the erbium radiative transitions {sup 4}F{sub 7/2} → {sup 4}I{sub 15/2}, {sup 2}H{sub 11/2} → {sup 4}I{sub 15/2}, {sup 4}S{sub 3/2} → {sup 4}I{sub 15/2}, {sup 4}F{sub 9/2} → {sup 4}I{sub 15/2} and {sup 4}I{sub 9/2} → {sup 4}I{sub 15/2}, respectively, are present. Such converters can be used in laser medicine for tissue surgery as well as in procedures combining laser, thermal, biostimulation or photodynamic action.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Formation and optical properties of IR photoluminescence centres in bismuth-containing aluminophosphate glass

We have prepared aluminophosphate glass samples differing in bismuth oxide content and demonstrating broadband near-IR photoluminescence. Analysis of their photoluminescence spectra leads us to conclude that they contain two main types of emission centres, one of which seems to be a bismuth monocation and the other is a cluster ion. In addition to these luminescence centres, the aluminophosphate glasses contain a nonluminescent bismuth-containing centre responsible for the broad, strong optical absorption band peaking at 450 nm. (active media)

36 MATERIALS SCIENCE↗

Fast computation of synthetic seismograms within a medium containing remote localized perturbations: a numerical solution to the scattering problem

We derive a fast discrete solution to the scattering problem. This solution allows us to compute accurate synthetic seismograms or waveforms for arbitrary locations of sources and receivers within a medium containing localized perturbations. The key to efficiency is that wave propagation modelling does not need to be carried out in the entire volume that encompasses the sources and the receivers but only within the subvolume containing the perturbations or scatterers. The proposed solution has important applications, for example, it permits the imaging of remote targets located in regions where no sources or receivers are present. Our solution relies on domain decomposition: within a small volume that contains the scatterers, wave propagation is modelled numerically, while in the surrounding volume, where the medium isn't perturbed, the response is obtained through wavefield extrapolation. The originality of this work is the derivation of discrete formulas for representation theorems and Kirchhof–Helmholtz integrals that naturally adapt to the numerical scheme employed for modelling wave propagation. Our solution applies, for example, to finite difference methods or finite/spectral elements methods. The synthetic seismograms obtained with our solution can be considered ‘exact’ as the total numerical error is comparable to that of the method employed for modelling wave propagation. We detail a basic implementation of our solution in the acoustic case using the finite difference method and present numerical examples that demonstrate the accuracy of the method. We show that ignoring some terms accounting for higher order scattering effects in our solution has a limited effect on the computed seismograms and significantly reduces the computational effort. Finally, we show that our solution can be used to compute localized sensitivity kernels and we discuss applications to target oriented imaging. Extension to the elastic case is straightforward and summarized in a dedicated section.

97 MATHEMATICS AND COMPUTING↗

Spin-triplet supercurrent in Josephson junctions containing a synthetic antiferromagnet with perpendicular magnetic anisotropy

In this paper, we present measurements of Josephson junctions containing three magnetic layers with noncollinear magnetizations. The junctions are of the form S / F ' / N / F / N / F " / S , where S is superconducting Nb, F ' is either a thin Ni or Permalloy layer with in-plane magnetization, N is the normal metal Cu, F is a synthetic antiferromagnet with magnetization perpendicular to the plane, composed of Pd/Co multilayers on either side of a thin Ru spacer, and F " is a thin Ni layer with in-plane magnetization. The supercurrent in these junctions decays more slowly as a function of the F -layer thickness than for similar spin-singlet junctions not containing the F ' and F " layers. The slower decay is the prime signature that the supercurrent in the central part of these junctions is carried by spin-triplet pairs. Finally, the junctions containing F ' = Permalloy are suitable for future experiments where either the amplitude of the critical current or the ground-state phase difference across the junction is controlled by changing the relative orientations of the magnetizations of the F ' and F " layers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond

The X-ray crystallographic structure of the disulfide-containing HCAII (dsHCAII) has been solved to 1.77 Å resolution and revealed that successful oxidation of the cysteine bond was achieved while also retaining desirable active-site geometry. The carbonic anhydrases (CAs) are a family of mostly zinc metalloenzymes that catalyze the reversible hydration of CO{sub 2} to bicarbonate and a proton. Recently, there has been industrial interest in utilizing CAs as biocatalysts for carbon sequestration and biofuel production. The conditions used in these processes, however, result in high temperatures and acidic pH. This unfavorable environment results in rapid destabilization and loss of catalytic activity in CAs, ultimately resulting in cost-inefficient high-maintenance operation of the system. In order to negate these detrimental industrial conditions, cysteines at residues 23 (Ala23Cys) and 203 (Leu203Cys) were engineered into a wild-type variant of human CA II (HCAII) containing the mutation Cys206Ser. The X-ray crystallographic structure of the disulfide-containing HCAII (dsHCAII) was solved to 1.77 Å resolution and revealed that successful oxidation of the cysteine bond was achieved while also retaining desirable active-site geometry. Kinetic studies utilizing the measurement of {sup 18}O-labeled CO{sub 2} by mass spectrometry revealed that dsHCAII retained high catalytic efficiency, and differential scanning calorimetry showed acid stability and thermal stability that was enhanced by up to 14 K compared with native HCAII. Together, these studies have shown that dsHCAII has properties that could be used in an industrial setting to help to lower costs and improve the overall reaction efficiency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Containers for Massive Ensemble of I/O Bound Hierarchical Coupled Simulations

We present our experience using containers to scale up a massive ensemble of coupled I/O bound workloads on the NERSC Cori supercomputer. We describe the design of a hierarchical simulation structure using the Integrated Plasma Simulator (IPS) that enables the flexible execution of coupled simulations at the system, node, and core level using the same coupling abstraction and API. The hierarchical design allows for the node-level execution to be efficiently executed using containers while not impacting the structure of the simulation at the system level. We demonstrate the viability of the approach by presenting experimental results from applications in coupled fusion plasma simulations that illustrate the performance impact of using containers to deploy the node-level workloads, in conjunction with the user mountable XFS file systems to ameliorate the load on the Lustre parallel file system. We also present results from production runs showing the ability of the ensemble simulations to scale to hundreds of Cori Haswell nodes, with little or no overhead.

Elwasif, Wael↗

T‐cell epitope‐containing hypoallergenic β‐lactoglobulin for oral immunotherapy in milk allergy

Abstract Background Optimally hydrolyzed β‐Lactoglobulin (βLg) is a promising milk oral immunotherapy (OIT) candidate with respect to showing reduced B‐cell reactivity but retaining the T‐cell epitope. To demonstrate that an edible hypoallergenic βLg hydrolysate containing the T‐cell epitope is suitable for OIT. We tested how chymotrypsin affected the retention of the T‐cell epitope of βLg when preparing βLg hydrolysates using food‐grade trypsin. Methods We investigated the effect of chymotrypsin activity on the formation of the T‐cell epitope‐containing peptide of βLg (βLg 102–124 ) and prepared an edible βLg hydrolysate containing βLg 102–124 using screened food‐grade trypsins. B‐cell reactivity was determined using immunoassays in which ELISA was performed with anti‐βLg rabbit IgG and Western blotting was performed with a milk‐specific IgE antiserum. Results In βLg hydrolysis performed by varying the activity of trypsin and chymotrypsin, chymotrypsin activity inhibited the formation of βLg 102–124 with an increase in hydrolysis time in a dose‐dependent manner. βLg 102–124 was generated by two of five food‐grade trypsins used at a ratio of 1:50 (w/w, enzyme/substrate) for 20 h at 40°C. The edible βLg hydrolysate retained βLg 102–124 and showed a reduction in molecular weight distribution and antigenicity against IgG and IgE. Conclusions Chymotrypsin activity inhibited the formation of βLg 102–124 in the trypsin hydrolysate of βLg. This βLg trypsin hydrolysate is a novel candidate for peptide‐based OIT in cow's milk allergy for safely inducing desensitization.

Ueno, Hiroshi M.↗

Fabrication, Modeling, and Testing of a Prototype for Particle Thermal Energy Storage Containment

Increasing penetration of variable renewable energy resources requires the deployment of energy storage at a range of durations. Long-duration energy storage (LDES) technologies will fulfill the need to firm variable renewable energy resource output throughout the year. Conventional electrochemical batteries (e.g., lithium-ion) are uneconomical in this role due to high energy capacity costs. Thermal energy storage (TES) is one promising technology for LDES applications because of its siting flexibility and ease of scaling. Particle-based TES systems use low-cost solid particles that have higher temperature limits than the molten salts used in traditional concentrated solar power systems. A key component in particle-based TES systems is the containment silo for the high-temperature (> 1100 degrees C) particles. This study combined experimental testing and computational modeling methods to design and characterize the performance of a particle containment silo for LDES applications. A containment silo prototype was built at a laboratory scale and used to validate a congruent transient finite element analysis (FEA) model. The validation compared the actual and predicted temperature profile through the prototype over six days as the particles cooled from their initial temperature. The performance of a commercial scale (> 5 GWhth) was then characterized using the validated model. The transient FEA model was subject to several charge-discharge cycles to mimic a possible operating schedule. The commercial-scale model predicted a storage efficiency in excess of 95% after five days of storage with a design storage temperature of 1200 degrees C. Insulation material and concrete temperature limits were considered as well. The validation of the methodology means the FEA model can simulate a range of scenarios for future applications. This work supports the development of a promising LDES technology with implications for grid-scale electrical energy storage, but also for thermal energy storage for industrial process heating applications.

ENERGY STORAGE↗

Effects of Sulfate Reduction on Trichloroethene Dechlorination by Dehalococcoides-Containing Microbial Communities

Here, in order to elucidate interactions between sulfate reduction and dechlorination, we systematically evaluated the effects of different concentrations of sulfate and sulfide on reductive dechlorination by isolates, constructed consortia, and enrichments containing Dehalococcoides sp. Sulfate (up to 5 mM) did not inhibit the growth or metabolism of pure cultures of the dechlorinator Dehalococcoides mccartyi 195, the sulfate reducer Desulfovibrio vulgaris Hildenborough, or the syntroph Syntrophomonas wolfei. In contrast, sulfide at 5 mM exhibited inhibitory effects on growth of the sulfate reducer and the syntroph, as well as on both dechlorination and growth rates of D. mccartyi. Transcriptomic analysis of D. mccartyi 195 revealed that genes encoding ATP synthase, biosynthesis, and Hym hydrogenase were downregulated during sulfide inhibition, whereas genes encoding metal-containing enzymes involved in energy metabolism were upregulated even though the activity of those enzymes (hydrogenases) was inhibited. When the electron acceptor (trichloroethene) was limiting and an electron donor (lactate) was provided in excess to cocultures and enrichments, high sulfate concentrations (5 mM) inhibited reductive dechlorination due to the toxicity of generated sulfide. The initial cell ratio of sulfate reducers to D. mccartyi (1:3, 1:1, or 3:1) did not affect the dechlorination performance in the presence of sulfate (2 and 5 mM). Finally, in contrast, under electron donor limitation, dechlorination was not affected by sulfate amendments due to low sulfide production, demonstrating that D. mccartyi can function effectively in anaerobic microbial communities containing moderate sulfate concentrations (5 mM), likely due to its ability to outcompete other hydrogen-consuming bacteria and archaea.

59 BASIC BIOLOGICAL SCIENCES↗

The ChiS-Family DNA-Binding Domain Contains a Cryptic Helix-Turn-Helix Variant

Sequence-specific DNA-binding domains (DBDs) are conserved in all domains of life. These proteins carry out a variety of cellular functions, and there are a number of distinct structural domains already described that allow for sequence-specific DNA binding, including the ubiquitous helix-turn-helix (HTH) domain. In the facultative pathogen Vibrio cholerae, the chitin sensor ChiS is a transcriptional regulator that is critical for the survival of this organism in its marine reservoir. We recently showed that ChiS contains a cryptic DBD in its C terminus. This domain is not homologous to any known DBD, but it is a conserved domain present in other bacterial proteins. Here, we present the crystal structure of the ChiS DBD at a resolution of 1.28 Å. We find that the ChiS DBD contains an HTH domain that is structurally similar to those found in other DNA-binding proteins, like the LacI repressor. However, one striking difference observed in the ChiS DBD is that the canonical tight turn of the HTH is replaced with an insertion containing a β-sheet, a variant which we term the helix-sheet-helix. Through systematic mutagenesis of all positively charged residues within the ChiS DBD, we show that residues within and proximal to the ChiS helix-sheet-helix are critical for DNA binding. Finally, through phylogenetic analyses we show that the ChiS DBD is found in diverse proteobacterial proteins that exhibit distinct domain architectures. Together, these results suggest that the structure described here represents the prototypical member of the ChiS-family of DBDs.

59 BASIC BIOLOGICAL SCIENCES↗

IR Spectroscopic Study of Interatomic Interaction in [(CoFeB){sub 60}C{sub 40}/SiO{sub 2}]{sub 200} and [(CoFeB){sub 34}(SiO{sub 2}){sub 66}/C]{sub 46} Multilayer Nanostructures with Metal-Containing Composite Layers

This paper presents an IR spectroscopic study of chemical bonds between components of amorphous [(CoFeB){sub 60}C{sub 40}/SiO{sub 2}]{sub 200} and [(CoFeB){sub 34}(SiO{sub 2}){sub 66}/C]{sub 46} multilayer nanostructures (MNS’s) made up of metal-containing composite layers and different interlayers, which influence their electromagnetic properties. Our results demonstrate that, even though the MNS’s have identical elemental compositions, their IR spectra differ significantly. The reason for this is that the main contribution to the IR spectrum of the [(CoFeB){sub 60}C{sub 40}/SiO{sub 2}]{sub 200} MNS is made by its SiO{sub 2} interlayers. The formation of other bonds with oxygen and silicon is blocked by the carbon present in the (CoFeB){sub 60}C{sub 40} composite layers, as evidenced by the presence of the strongest mode in the IR spectra of this structure, which corresponds to boron carbide, BC. The considerable intensity redistribution to the low-frequency region in the IR spectrum of the [(CoFeB){sub 34}(SiO{sub 2}){sub 66}/C]{sub 46} MNS, containing carbon interlayers, is due to the incorporation of nominal SiO2 into the metal-containing composite layers and the partial redistribution of oxygen bonds from the SiO{sub 2} to the 3d transition metals, resulting in the formation of metal oxides and a silicon suboxide. The interaction of the carbon present in the interlayers between the composite layers with elements of the composite layers, in particular with boron, is considerably weaker in comparison with the other MNS, [(CoFeB){sub 60}C{sub 40}/SiO{sub 2}]{sub 200}, which has oxide interlayers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Predicting the Optical Properties of Matrix Composites Containing Spherical Inclusions with Metal Shells

Individual small particles consisting of an insulating core and a metal shell exhibit more intricate behavior when exposed to electromagnetic radiation than continuous metal particles. A composite medium containing a large number of such particles is therefore bound to have new optical properties. If the inclusions are small relative to the wavelength of electromagnetic radiation, the optical characteristics of an inhomogeneous medium can be estimated from its effective permittivity. On the basis of the generalized effective field approximation, a formula is derived to calculate the effective dielectric characteristics of a matrix composite containing spherical inclusions with shells. The formula can be considered a generalization of the classical Maxwell–Garnett formula for a matrix medium with inhomogeneous inclusions consisting of anisotropic cores and isotropic shells. Using the formula, the frequency dependences of the real and imaginary parts of the effective permittivity in the 0.282–0.855 μm range of wavelengths are calculated for a composite consisting of an α-quartz matrix and spherical nanoinclusions with α-quartz cores and silver shells. The dependences are obtained for different relative volume fractions of cores in the inclusions and of inclusions in the composite. The frequency dependences of the refractive index, the extinction coefficient of the composite, and the transmittance and reflectance of a thin composite film are calculated for the range of wavelengths indicated above. It is shown that inclusions with metal shells in a matrix composite result in an additional plasmon resonance, compared to a composite containing all-metal inclusions. With a matrix composite, the additional plasmon resonance is observed at a wavelength of 0.33–0.34 μm in the ultraviolet range and is much less intense than the principal plasmon resonance. The additional plasmon resonance is responsible for the very low transmittance of a composite film in the ultraviolet region. At a constant volume fraction of inclusions in the composite, an increase in the volume fraction of the cores in them shifts the principal plasmon resonance to longer wavelengths and lowers its intensity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Lithium-Ion Cathode/Coating Pairs for Transition Metal Containment

Formany lithium-ion cathode materials, transitionmetal (TM) dissolution into the electrolyte contributes to cell degradation. Cathode coatings can limit TM dissolution by containing TMs in cathode materials. We perform density functional theory calculations to evaluate cathode/coating pairs for TM containment, specifically focusing on reactive stability of coating/cathode pairs as well as TM solubility in the coating materials. We consider stability and containment of materials at both synthesis and operating conditions. We find that many cathode/coating pairs are reactive when lithiated, while other cathode-coating pairs are stable when lithiated but become reactive following delithiation. Of all the coatings that we considered, Li 3 PO 4 occupies a unique chemical position, in that its coatings on oxide cathode materials maintained equilibrium under both lithiated and delithiated conditions. Furthermore, for oxide cathode materials, the Li 3 PO 4 coatings exhibit low TM solubilities across all cathode states of charge. Our results demonstrate that Li 3 PO 4 is a promising candidate for stable coatings on oxide cathode materials to limit TM dissolution into the electrolyte.

25 ENERGY STORAGE↗