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SSRN 2024年

作者： Karmakar, Subrata Parey, Vanshree Mistari, Chetan D. Hamid, Md Abdul Emu, Injamamul Hoque Halim, Md Abdul Sanyal, Gopal Chakraborty, Brahmananda More, M.A. Droopad, Ravi Haque, Ariful Electrical Engineering Ingram School of Engineering Texas State University San MarcosTX78666 United States Institute of Chemical Research of Catalonia The Barcelona Institute of Science and Technology Av. Països Catalans 16 Tarragona43007 Spain Department of Physics Savitribai Phule Pune University Maharashtra Pune411007 India Mechanical Metallurgy Division Bhabha Atomic Research Centre Trombay Mumbai400085 India High Pressure and Synchrotron Radiation Physics Division Bhabha Atomic Research Centre Trombay Mumbai400085 India Homi Bhabha National Institute Anushaktinagar Mumbai400094 India Materials Science Engineering & Commercialization Program Texas State University San MarcosTX78666 United States

GdNiO3 microflowers were synthesized by hydrothermal method with unit sizes of about 2.2-3.5 μm and petal sizes of ~75-100 nm. The X-ray diffraction pattern (XRD) and Raman spectra reveal an orthorhombic crystal structure with the space group Pbnm and various Raman active vibrational modes i.e., Ag, B1g, B2g associated with rare earth nickelates. The total density of states (TDOS) was calculated by density functional theory (DFT) study using a hybrid functional (HSE06) and the volume of TDOS near the Fermi level confirms the semiconducting nature of GdNiO3 with band gap ~0.688 eV. The local bulk work function (φ) was estimated theoretically at ~5.35 eV from DFT calculations which is one of the essential parameters for the field enhancement factor (β). Field emission current density (J) vs. applied electric field (E) divulges a low turn-on field (Eto)~4.6 V/μm@1 μA/cm2 and a threshold field (Eth)~5.2 V/μm@10 μA/cm2 respectively. The Fowler-Nordheim (F-N) model was introduced to calculate β ~1637 and long-term field emission current stability was observed experimentally > 4 h at the preset values of current 2 μA and 10 μA, respectively. The easy preparedness, low turn-on field, and long-term current stability without significant decay suggest this material to be an efficient electron field emitting material in the rare-earth nickelates series. © 2024, The Authors. All rights reserved.

关键词： Rare earths

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Detection of Toxic Contaminants in Alcohol-Based Hand Sanitizers Using Infrared Spectroscopy

Applied Spectroscopy Practica

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Applied Spectroscopy Practica 2023年第2期1卷

作者： Aminur Rashid Chowdhury Umar Burney David King Tse-Ang Lee Dan Hutter Tanya Hutter Department of Mechanical Engineering The University of Texas at Austin Austin Texas USAMaterials Science and Engineering Program and Texas Materials Institute The University of Texas at Austin Austin Texas USA Department of Mechanical Engineering The University of Texas at Austin Austin Texas USA Department of Electrical and Computer Engineering The University of Texas at Austin Austin Texas USA

Recent fatalities due to methanol and 1-propanol toxicity in alcohol-based hand sanitizers has led the U.S. Food and Drug Administration (FDA) to ban 594 different hand sanitizer brands. The FDA also introduced methanol testing in alcohol-based hand sanitizers before allowing the products to enter the United States This requirement creates a need for inexpensive, rapid, and portable testing methods to measure methanol and 1-propanol concentrations in alcohol-based hand sanitizers. Here we study the performance of infrared (IR) spectroscopy for measuring methanol and 1-propanol concentrations in an alcohol-based hand sanitizer, and compare the performance of two portable spectrometers, texas Instruments near-infrared (NIR) spectrometer (TI NIR) and NeoSpectra mid-infrared (MIR) spectrometer. The IR absorbance spectra were measured in transmission mode at different path lengths for 52 different hand sanitizer samples spiked with 0%–1% v/v concentrations of methanol and 1-propanol. A partial least-squares regression analysis shows ability to detect contaminant concentrations with a correlation coefficient of determination (r2) up to 0.99 and root mean square error of prediction as low as 0.34% v/v.

关键词： Hand sanitizers toxins methanol 1-propanol infrared spectroscopy partial least-squares regression PLSR

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Large Exciton Binding Energy in the Bulk van der Waals Magnet CrSBr

arXiv

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arXiv 2024年

作者： Smolenski, Shane Wen, Ming Li, Qiuyang Downey, Eoghan Alfrey, Adam Liu, Wenhao Kondusamy, Aswin L.N. Bostwick, Aaron Jozwiak, Chris Rotenberg, Eli Zhao, Liuyan Deng, Hui Lv, Bing Zgid, Dominika Gull, Emanuel Jo, Na Hyun Department of Physics University of Michigan Ann ArborMI48109 United States Department of Chemistry University of Michigan Ann ArborMI48109 United States Applied Physics Program University of Michigan Ann ArborMI48109 United States Department of Physics University of Texas at Dallas RichardsonTX75080 United States Department of Materials Science and Engineering University of Texas at Dallas RichardsonTX75080 United States Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA94720 United States

Excitons, bound electron-hole pairs, influence the optical properties in strongly interacting solid state systems. Excitons and their associated many-body physics are typically most stable and pronounced in monolayer materials. Bulk systems with large exciton binding energies, on the other hand, are rare and the mechanisms driving their stability are still relatively unexplored. Here, we report an exceptionally large exciton binding energy in single crystals of the bulk van der Waals antiferromagnet CrSBr. Utilizing state-of-the-art angle-resolved photoemission spectroscopy and self-consistent ab-initio GW calculations, we present direct spectroscopic evidence that robust electronic and structural anisotropy can significantly amplify the exciton binding energy within bulk crystals. Furthermore, the application of a vertical electric field enables broad tunability of the optical and electronic properties. Our results indicate that CrSBr is a promising material for the study of the role of anisotropy in strongly interacting bulk systems and for the development of exciton-based optoelectronics. Copyright © 2024, The Authors. All rights reserved.

关键词： Bromine compounds

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Understanding the Durability of Nanocatalysts in Energy Conversion by Advanced Electron Microscopy

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Microscopy and Microanalysis 2024年第SUPPLEMENT_1期30卷

作者： Ferreira, Paulo INL – International Iberian Nanotechnology Laboratory Braga Portugal Materials Science and Engineering Program The University of Texas at Austin Austin Texas United States Mechanical Engineering Department and IDMEC Instituto Superior Técnico University of Lisbon Lisboa Portugal

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Alumina – Stabilized SEI and CEI in Potassium Metal Batteries

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Angewandte Chemie 2024年第31期136卷

作者： Pengcheng Liu Hongchang Hao Aditya Singla Bairav S. Vishnugopi John Watt Partha P. Mukherjee David Mitlin Materials Science and Engineering Program & Texas Materials Institute (TMI) The University of Texas at Austin Austin TX 78712–1591 USA School of Mechanical Engineering Purdue University West Lafayette IN 47907 USA Center for Integrated Nanotechnologies Los Alamos National Laboratory Los Alamos NM 87545 USA

Aluminum oxide (Al 2 O 3 ) nanopowder is spin-coated onto both sides of commercial polypropene separator to create artificial solid-electrolyte interphase (SEI) and artificial cathode electrolyte interface (CEI) in potassium metal batteries (KMBs). This significantly enhances the stability, including of KMBs with Prussian Blue (PB) cathodes. For example, symmetric cells are stable after 1,000 cycles at 0.5 mA/cm 2 –0.5 mAh/cm 2 and 3.0 mA/cm 2 –0.5 mAh/cm 2 . Alumina modified separators promote electrolyte wetting and increase ionic conductivity (0.59 vs. 0.2 mS/cm) and transference number (0.81 vs. 0.23). Cryo-stage focused ion beam (cryo-FIB) analysis of cycled modified anode demonstrates dense and planar electrodeposits, versus unmodified baseline consisting of metal filaments (dendrites) interspersed with pores and SEI. Alumina-modified CEI also suppresses elemental Fe crossover and reduces cathode cracking. Mesoscale modeling of metal – SEI interactions captures crucial role of intrinsic heterogeneities, illustrating how artificial SEI affects reaction current distribution, conductivity and morphological stability.

关键词： metal dendrite potassium metal battery electron microscopy multiscale simulation functional separator solid electrolyte interphase (SEI)

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Electric Field Emission in GdNiO3 Microflower

SSRN

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SSRN 2024年

作者： Karmakar, Subrata Parey, Vanshree Mistari, Chetan D. Hamid, Md Abdul Emu, Injamamul Hoque Halim, Md Abdul Sanyal, Gopal Chakraborty, Brahmananda More, M.A. Droopad, Ravi Haque, Ariful Ingram School of Engineering Texas State University San MarcosTX78666 United States Institute of Chemical Research of Catalonia The Barcelona Institute of Science and Technology Av. Països Catalans 16 Tarragona43007 Spain Department of Physics Savitribai Phule Pune University Maharashtra Pune411007 India Mechanical Metallurgy Division Bhabha Atomic Research Centre Trombay Mumbai400085 India High Pressure and Synchrotron Radiation Physics Division Bhabha Atomic Research Centre Trombay Mumbai400085 India Homi Bhabha National Institute Anushaktinagar Mumbai400094 India Materials Science Engineering & Commercialization Program Texas State University San MarcosTX78666 United States

关键词： Rare earths

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Reconfigurable Assembly of Chiral Nanostructures on Solid Substrates

Reconfigurable Assembly of Chiral Nanostructures on Solid Su...

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IEEE Photonics Conference (IPC)

作者： Jingang Li Yuebing Zheng Materials Science & Engineering Program and Texas Materials Institute The University of Texas at Austin Austin TX USA The University of Texas at Austin Austin TX USA

Reconfigurable construction of nanostructures on solid substrates is promising for adaptive on-chip devices. We report an all-optical approach to build colloids into active chiral nanostructures on a solid substrate, ... 详细信息

ISBN: (数字)9781728158914

ISBN: (纸本)9781728158921

关键词： Nanostructures Substrates Optical scattering Solids Periodic structures Optical imaging Optical polarization

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Solid-Phase Optical Manipulation and Assembly of Colloidal Particles

Solid-Phase Optical Manipulation and Assembly of Colloidal P...

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IEEE Photonics Conference (IPC)

ISBN: (数字)9781728158914

ISBN: (纸本)9781728158921

Most optical tweezers and manipulation techniques are operated in liquid environments, where the undesired Brownian motion and capillary forces limit the working performance. Here, we develop an all-optical technique, termed optothermally-gated photon nudging, for the versatile manipulation of particles on solid substrates at nanoscale accuracy.

关键词： Solids Substrates Laser beams Optical scattering Adaptive optics Optical imaging Laser transitions

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An Interfacial View of Cation Effects on Electrocatalysis Systems

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Angewandte Chemie 2023年第43期135卷

作者： Prof. Hadi Khani Dr. Alain R. Puente Santiago Prof. Tianwei He Texas Materials Institute and Materials Science and Engineering Program The University of Texas at Austin Austin TX 78712 USA Yunnan Key Laboratory for Micro/Nano Materials & Technology National Center for International Research on Photoelectric and Energy Materials Yunnan University Kunming 650091 China

The identity of alkali metal cations in the electrolyte of electrocatalysis systems has been recently introduced as a crucial factor to tailor the kinetics and Faradaic efficiency of many electrocatalytic reactions. In this Minireview, we have summarized the recent advances in the molecular-level understanding of cation effects on relevant electrocatalytic processes such as hydrogen evolution (HER), oxygen evolution (OER), and CO 2 electroreduction (CO 2 RR) reactions. The discussion covers the effects of electrolyte cations on interfacial electric fields, structural organization of interfacial water molecules, blocking the catalytic active sites, stabilization or destabilization of intermediates, and interfacial pHs. These cation-induced interfacial phenomena have been reported to impact the performance (activity, selectivity, and stability) of electrochemical reactions collaboratively or independently. We describe that although there is almost a general agreement on the relationship between the size of alkali cations and the activities of HER, OER, and CO 2 RR, however, the mechanism by which the performance of these electrocatalytic reactions is influenced by alkali metal cations is still in debate.

关键词： CO2 Electroreduction Cation Effect Electrical Double Layer Hydrogen Evolution Reaction Oxygen Evolution Reaction

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Exotic magnetism in perovskite KOsO3

arXiv

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arXiv 2024年

作者： Chen, Jie Li, Hongze Gainza, Javier Munoz, Angel Alonso, Jose A. Liu, Jue Chen, Yu-Sheng Belik, Alexei A. Yamaura, Kazunari He, Jiaming Li, Xinyu Goodenough, John B. Zhou, J.-S. Materials Science and Engineering Program University of Texas at Austin AustinTX78712 United States Instituto de Ciencia de Materiales de Madrid CSIC Cantoblanco MadridE-28049 Spain Universidad Carlos III Avenida Universidad 30 Leganés-MadridE-28911 Spain Neutron Scattering Division Oak Ridge National Laboratory Oak RidgeTN37830 United States NSF’s ChemMatCARS The University of Chicago IL60437 United States National Institute for Materials Science Namiki 1-1 Ibaraki Tsukuba305-0044 Japan Graduate School of Chemical Sciences and Engineering Hokkaido University North 10 West 8 Kita-ku Hokkaido Sapporo060-0810 Japan

A new perovskite KOsO3 has been stabilized under high-pressure and high temperature conditions. It is cubic at 500 K (Pm-3m) and undergoes subsequent phase transitions to tetragonal at 320 K (P4/mmm) and rhombohedral (R-3m) at 230 K as shown from refining synchrotron X-ray powder diffraction (SXRD) data. The larger orbital overlap integral and the extended wavefunction of 5d electrons in the perovskite KOsO3 allow to explore physics from the regime where Mott and Hund’s rule couplings dominate to the state where the multiple interactions are on equal footing. We demonstrate an exotic magnetic ordering phase found by neutron powder diffraction along with physical properties via a suite of measurements including magnetic and transport properties, differential scanning calorimetry, and specific heat, which provide comprehensive information for a system at the crossover from localized to itinerant electronic behavior. Copyright © 2024, The Authors. All rights reserved.

关键词： X ray powder diffraction

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