A first-principles study of stability of surface confined mixed metal oxides with corundum structure (Fe2O3, Cr2O3, V2O3)

Author:

Jonayat A. S. M.1234ORCID,Kramer Alan5674,Bignardi Luca8910ORCID,Lacovig Paolo8910,Lizzit Silvano8910ORCID,van Duin Adri C.T.123411,Batzill Matthias5674ORCID,Janik Michael J.11234ORCID

Affiliation:

1. Department of Mechanical and Nuclear Engineering

2. The Pennsylvania State University

3. University Park

4. USA

5. Department of Physics

6. University of South Florida

7. Tampa

8. Elettra-Sincrotrone Trieste S.C.p.A.

9. I-34149 Trieste

10. Italy

11. Department of Chemical Engineering

Abstract

Surface-confined mixed corundum metal oxides stability is shown to follow the stability trend of their similar pure oxide terminations.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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