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Molecular Simulation Volume 48, 2022 - Issue 3
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Articles

First-principles characterisation and comparison of clean, hydrated, and defect α-Al2O3 and α-Fe2O3 (110) surfaces

Ali Abbaspour Tamijania Department of Chemistry, University of Iowa, Iowa City, USAView further author information
,
Logan J. Augustinea Department of Chemistry, University of Iowa, Iowa City, USAORCID Iconhttps://orcid.org/0000-0002-0830-0820View further author information
ORCID Icon,
Jennifer L. Bjorklunda Department of Chemistry, University of Iowa, Iowa City, USAView further author information
,
Jeffrey G. Catalanob Department of Earth and Planetary Sciences, Washington University, St. Louis, USAView further author information
&
Sara E. Masona Department of Chemistry, University of Iowa, Iowa City, USACorrespondence[email protected]
View further author information
Pages 247-263 | Received 16 Apr 2021, Accepted 14 Nov 2021, Published online: 16 Dec 2021

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