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arXiv 2025年

作者： Wang, Yuxuan Zacharias, Marios Zhang, Xiao Pant, Nick Even, Jacky Poudeu, Pierre F.P. Kioupakis, Emmanouil Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Univ Rennes INSA Rennes CNRS Institut FOTON - UMR 6082 RennesF-35000 France Applied Physics Program University of Michigan Ann ArborMI48109 United States Oden Institute for Computational Engineering and Sciences The University of Texas at Austin AustinTX78712 United States

Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon coupling in superionic conductors. Using the example of cubic Cu2Se, we show that positional polymorphism yields extremely overdamped anharmonic vibrations while preserving transverse acoustic phonons, consistent with experiments. We also demonstrate well-defined electronic band structures with large band gap openings due to polymorphism of 1.0 eV and calculate anharmonic electron-phonon renormalization, yielding band gap narrowing with increasing temperature in agreement with previous measurements. Our approach opens the way for efficient ab initio electronic structure calculations in superionic crystals to elucidate their compelling high figure-of-merit. © 2025, CC BY-NC-ND.

关键词： Energy gap

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Advancing optothermal manipulation:decoupling temperature and flow fields in quasi-isothermal microscale streaming

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Light(science & Applications) 2023年第9期12卷 1713-1714页

作者： Youngsun Kim Yuebing Zheng Materials Science and Engineering Program and Texas Materials Institute The University of Texas at AustinAustinTX78712USA Walker Department of Mechanical Engineering The University of Texas at AustinAustinTX78712USA

By decoupling temperature and flow fields through symmetry-correlated laser scan sequences,ISO-FLUCS enables quasi-isothermal optofluidic microscale *** technique offers precise control over fluid manipulation while m... 详细信息

关键词： thermal isothermal flow

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Al2O3/Al particle-reinforced aluminum matrix composite by displacement reaction

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JOURNAL OF materials RESEARCH 1996年第6期11卷 1562-1569页

作者： Hanabe, MR Aswath, PB Materials Science and Engineering Program University of Texas at Arlington Texas 76019 P.O. Box 19031 USA

The development of a novel Al matrix composite is described based on a simple displacement reaction when II SiO2 particulate preform is brought into contact with liquid AZ at: temperatures between 1273 and 1373 K. This interaction leads to the wetting of the SiO2 particles by Al and its eventual transformation to a composite with Al2O3/AI particles in an Al matrix. Infiltration of the preform as induced by this reaction takes place with the simultaneous formation of the Al2O3/Al particles in situ. Synthesis of engineered multiphase composites, wherein reinforcements of other materials incorporated into the preform and reacted with liquid Al, is also presented.

关键词： materials science general Biomaterials Nanotechnology Inorganic Chemistry materials engineering Applied and Technical Physics

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materials Challenges and Opportunities of Lithium Ion Batteries (vol 2, pg 176, 2011)

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JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2011年第5期2卷 373-373页

作者： Manthiram, Arumugam Electrochemical Energy Laboratory & Materials Science and Engineering Program The University of Texas at Austin Austin Texas 78712 United States

Lithium ion batteries have revolutionized the portable electronics market, and they are being intensively pursued now for transportation and stationary storage of renewable energies like solar and wind. The success of lithium ion technology for the latter applications will depend largely on the cost, safety, cycle life, energy, and power, which are in turn controlled by the component materials used. Accordingly, this Perspective focuses on the challenges and prospects associated with the electrode materials. Specifically, the issues associated with high-voltage and high-capacity cathodes as well as high-capacity anodes and the approaches to overcome them are presented.

关键词： Transition metals Electrolytes Lithium Electrodes Ions

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Electric-field enhanced molecule detection in suspension on assembled plasmonic arrays by Raman spectroscopy

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Journal of Nanotechnology in engineering and Medicine 2014年第4期5卷 040906页

作者： Liu, Chao Xu, Xiaobin Fan, D.L. Materials Science and Engineering Program University of Texas at Austin AustinTX78712 United States Materials Science and Engineering Program Department of Mechanical Engineering University of Texas at Austin AustinTX78712 United States

One of the greatest challenges in surface enhanced Raman scattering (SERS) sensing is to detect biochemicals directly from suspension with ultrasensitivity. In this work, we employed strategically designed longitudinal nanocapsule structures with uniformly surface distributed Ag nanoparticles (Ag NPs) to dually focus and enhance SERS sensitivity of biochemicals in suspension assisted with electric fields. By tuning the reaction conditions, Ag NPs were synthesized and uniformly grown with optimized sizes and junctions on the surface of nanocapsules for well reproducible detection. The Ag NPs can further concentrate molecules from suspension due to induced electrokinetic effects in electric fields. As a result, the signals of Nile blue molecules can be enhanced by 34.463.1% at optimal alternating current (AC) frequencies and voltages compared to that without electric fields. This work demonstrates the dual roles of a new type of plasmonic NPs for molecule concentration and detection, which could inspire new Raman sensing devices for applications in microfluidics. Copyright © 2014 by ASME.

关键词： Silver nanoparticles

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Moisture-driven phase transition for improved perovskite solar cells with reduced trap-state density

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Nano Research 2017年第4期10卷 1413-1422页

作者： Swaminathan Venkatesan Fang Hao Junyoung Kim Yaoguang Rong Zhuan Zhu Yanliang Liang Jiming Bao Yan Yao Department of Electrical and Computer Engineering and Materials Science and Engineering Program University of Houston Houston Texas 77204 USA Texas Center for Superconductivity at the University of Houston Houston Texas 77204 USA

We report a mechanistic understanding of a moisture-driven intermediate-phase transition that improves the quality of perovskite thin films based on a lead-acetate precursor, improving the power-conversion effidency. We clarify the composition of the intermediate phase and attribute the transition of this phase to the hygroscopic nature of the organic product, i.e., methylammonium acetate. Thermal annealing aids in the coarsening of the grains. These decoupled processes result in better crystal formation with a lower spatial and energetic distribution of traps. Thermal annealing of the films without exposure to air results in a faster intermediate-phase transition and grain coarsening, which occur simultaneously, leading to disorder in the films and a higher deep trap-state density. Our results indicate the need for a humid environment for the growth of high-quality perovskite films and provide insight into intermediate-phase dissociation and conversion kinetics. Thus, they are useful for the large-scale production of effident solution-processed perovskite solar cells.

关键词： perovskite solar cells phase transition moisture treatment film growth

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A SPECTROSCOPIC STUDY OF NICKEL-OXIDE FILMS ON POLYCRYSTALLINE NICKEL

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THIN SOLID FILMS 1989年第1-2期177卷 171-180页

作者： MITRA, S TATTI, SR STARK, JP Materials Science and Engineering Program University of Texas at Austin Austin TX 78712 U.S.A.

The growth of nickel oxide films has attracted much attention over the years, and various diffusion mechanisms have been proposed to model the process. The popular techniques used to study the mass transport mechanisms have been Auger electron spectroscopy and secondary ion mass spectroscopy (SIMS). Another approach that has been suggested is the study of isotope separation during thin film growth. This type of analysis can give the mechanism of reaction during the film growth and is the technique used in this study. A normal isotope separation implies either grain boundary or lattice diffusion, whereas a reverse separation explicity implies grain boundary diffusion. This study looks at nickel oxides grown on polycrystalline nickel at 400, 600 and 800°C, and which range from 1.5 to 18 μm in thickness. Oxides were grown under atmospheric oxygen partial pressure conditions. X-ray diffraction was used to determine the nature of the oxide, and SIMS, in conjunction with Auger spectroscopy and argon ion sputtering, was used to determine the isotope separation if any. It was found that the oxide grown at 800°C exhibited reverse isotope separation, whereas the oxides grown at lower temperatures showed normal separation. Simplified calculations of the chemical diffusion coefficients of nickel in nickel oxide have also been made at the temperatures of interest, and activation energies ranging from 55.2 to 190.4 kJ mol -1 were obtained.

关键词： Nickel Compounds

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Revisiting ligand-exchange chromatography for valsartan chiral analysis using a conventional non-chiral column

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Journal of Pharmaceutical sciences 2025年第7期114卷 103797页

作者： Tho, Chanbopha Kerwin, Sean M. Jamnongtanachot, Promporn Vongsutilers, Vorasit Tuesuwan, Bodin Pharmaceutical Sciences and Technology Program Faculty of Pharmaceutical Sciences Chulalongkorn University Bangkok 10330 Thailand Department of Food and Pharmaceutical Chemistry Faculty of Pharmaceutical Sciences Chulalongkorn University Bangkok 10330 Thailand Materials Science Engineering and Commercialization Program Texas State University San Marcos 78666 TX United States Visatchana Consulting Co. Ltd. Bangkok 10230 Thailand

As the chiral drug market grows, developing efficient separation methods while ensuring quality has become a key focus for the pharmaceutical industries. Chiral column chromatography is effective but often impractical due to its expense. In our research, we established a cost-effective chiral analysis method for valsartan using ligand-exchange chromatography (LEC), an underutilized yet promising analytical technique with significant potential for further development in pharmaceutical research. This approach allows separation on a non-chiral column by forming complexes with metal ions in the mobile phase. Valsartan, a widely used antihypertensive drug, and its enantiomeric impurity were analyzed through LEC on a C₁₈ column. We optimized the conditions for chiral selectors, copper ions, and pH, achieving a resolution exceeding 2.7. The method, validated per ICH Q2(R1) guidelines for assay and impurity determination, exhibited outstanding linearity (r² > 0.999) and recovery (97.8 %–101.7 %), ensuring a complete separation of the target peak, even after forced degradation. LEC presents a cost-effective alternative for in-house chiral drug analysis, addressing the challenges posed by limited access to chiral columns in countries focused on local generic drug production, and offering a practical solution to the increasing global demand for efficient chiral separation. © 2025 American Pharmacists Association

关键词： Analytical Chemistry Chromatography HPLC Liquid Chromatography (LC) United States Pharmacopeia (USP)

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Synthesis of in-situ reinforced Al composites from Al-Si-Mg-O precursors

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ACTA MATERIALIA 1997年第10期45卷 4067-4076页

作者： Hanabe, M Aswath, PB Materials Science and Engineering Program University of Texas at Arlington Arlington TX 76019 U.S.A.

Al matrix composites reinforced with micro-composite Al2O3/Al particles were synthesized by reactive infiltration of molten Al into preforms of particulate SiO2 or Mg + SiO2 mixtures at 1075 degrees C. Displacement reactions between silica and magnesium containing oxides lead to in-situ formation of the reinforcements and also aid the infiltration of the melt. In the presence of Mg, it was found that the consistency of infiltration was better and that the transformation of silica to alumina involved intermediate displacement reactions unlike the single step reaction without Mg in the preform. It was observed that the morphology and size scale of the micro-composite Al2O3/Al particles were affected by the presence of Mg. Without Mg a finer scale Al2O3/Al microstructure with a tendency to be elongated in the growth direction formed, while a coarser morphology with interconnectivity in both phases developed from Mg + SiO2 preforms. Potential for such microstructural variations of the reinforcements permits control of the overall mechanical properties of the composite. (C) 1997 Acta Metallurgica Inc.

关键词： Metallic matrix composites

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Mo2C@3D ultrathin macroporous carbon realizing efficient and stable nitrogen fixation

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science China Chemistry 2020年第11期63卷 1570-1577页

作者： Zhiwei Fang Desiree Fernandez Nana Wang Zhongchao Bai Guihua Yu Materials Science and Engineering Program Texas Materials InstituteThe University of Texas at AustinAustinTexas 78712United States Institute for Superconducting and Electronic Materials University of WollongongInnovation CampusWollongongNew South Wales 2500Australia

Ammonia is a key feedstock of fertilizers for farming and convenient hydrogen carrier as an emerging clean fuel,but industrial ammonium production process,Haber-Bosch reaction,is an energy-intensive process,consuming 1%–2%of global energy and producing 3%global *** nitrogen reduction reaction(NRR)is one of the most promising routes to realize highly efficient NH3 production under ambient ***,up to now,few precious-metal-free electrocatalysts with desirable catalytic performance have been *** this work,Mo2C nanodots anchored on three-dimensional ultrathin macroporous carbon(Mo2C@3DUM-C)framework is developed toward significantly enhanced nitrogen reduction *** to the special structural design of 3D ultrathin macroporous carbon and highly active and stable Mo2C toward N2 electrochemical reduction,the Mo2C@3DUM-C framework exhibits a high Faradaic efficiency of 9.5%for NH3 production at−0.20 V and the yield rate reaches 30.4µg h−1 mgMo2C−*** electrochemical characterizations reveal the enhanced electron transfer and increased electrochemical surface area in the 3D macroporous carbon ***,the Mo2C@3DUM-C electrocatalysts hold high catalytic stability after long-term NRR *** temperature-dependent yield rate of NH3 demonstrates that the activation energy of nitrogen reduction on the employed catalyst was calculated to be 28.1 kJ mol−*** proposed earth-abundant Mo2C@3DUM-C demonstrates an alternative insight into developing efficient and stable nitrogen fixation catalysts in acids as alternatives to noble metal catalysts.

关键词： electrocatalyst nitrogen fixation nanoparticles molybdenum macroporous carbon

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