Vanadium Oxidation States and Structural Role in Aluminoborosilicate Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study

Lu, Xiaonan; Deng, Lu; Saslow, Sarah A.; Liu, Hongshen; Benmore, Chris J.; Parruzot, Benjamin P.; Reiser, Joelle T.; Kim, Seong H.; Ryan, Joseph V.; Vienna, John D.; Du, Jincheng

doi:10.1021/acs.jpcb.1c07134

Vanadium Oxidation States and Structural Role in Aluminoborosilicate Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study

Journal Article · Tue Nov 02 00:00:00 EDT 2021 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry

DOI:https://doi.org/10.1021/acs.jpcb.1c07134· OSTI ID:1858334

Lu, Xiaonan ^[1]; Deng, Lu ^[2]; ^[1]; Liu, Hongshen ^[3]; Benmore, Chris J. ^[4]; ^[1]; ^[1]; ^[3]; ^[1]; Vienna, John D. ^[1]; ^[2]

Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States
Department of Materials Science and Engineering, University of North Texas, Denton, Texas 76203, United States
Department of Chemical Engineering, Materials Research Institute, Pennsylvania State University, University Park, Pennsylvania 16802, United States
Advanced Photon Source Facility, Argonne National Laboratory, Argonne, Illinois 60439, United States

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC05-76RL01830; SC0016584

OSTI ID:: 1858334

Alternate ID(s):: OSTI ID: 1829790
OSTI ID: 1888016

Report Number(s):: PNNL-SA-162939

Journal Information:: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, Journal Name: Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry Journal Issue: 44 Vol. 125; ISSN 1520-6106

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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