Understanding the Effect of Single Atom Cationic Defect Sites in an Al 2 O 3 (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study

Gupta, Srishti; Chismar, Adam; Muhich, Christopher

doi:10.1021/acs.jpcc.3c00098

Understanding the Effect of Single Atom Cationic Defect Sites in an Al ₂ O ₃ (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study

Journal Article · 30 March 2023 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.3c00098· OSTI ID:2424749

^[1]; Chismar, Adam ^[1]; ^[2]

Chemical Engineering Program, School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, Arizona 85281, United States
Chemical Engineering Program, School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, Arizona 85281, United States; Materials Science and Engineering Program, School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, Arizona 85281, United States

Not provided.

Research Organization:: National Alliance for Water Innovation (NAWI), Berkeley, CA (United States)

Sponsoring Organization:: USDOE

OSTI ID:: 2424749

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 14 Vol. 127; ISSN 1932-7447

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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Understanding the Effect of Single Atom Cationic Defect Sites in an Al 2 O 3 (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study

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Understanding the Effect of Single Atom Cationic Defect Sites in an Al ₂ O ₃ (012) Surface on Altering Selenate and Sulfate Adsorption: An Ab Initio Study