Surface Energies of Hematite Faces and Heats of Oxygen Adsorption: Calculations by Modified Semiempirical Interacting Bonds Method Full article
Journal |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Output data | Year: 1996, Volume: 58, Number: 2, Pages: 397-402 Pages count : 6 DOI: 10.1007/BF02067050 | ||
Tags | Atomic structure, Faces of corundum-type oxides, Heats of oxygen adsorption, Semiempirical calculations, Surface energies | ||
Authors |
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Affiliations |
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Funding (1)
1 | International Science Foundation | RPV000 |
Abstract:
Modified semiempirical Interacting Bonds Method in the slab approximation with due regard for relaxation after free surface formation was used to calculate surface energies and heats of oxygen adsorption for various faces of hematite. The results obtained explained faceting of some faces after high-temperature annealing and formed bases for analysis of the structure sensitivity of CO oxidation reaction catalyzed by oxides with corundum-type structures.
Cite:
Bulgakov N.N.
, Sadykov V.A.
Surface Energies of Hematite Faces and Heats of Oxygen Adsorption: Calculations by Modified Semiempirical Interacting Bonds Method
Reaction Kinetics and Catalysis Letters. 1996. V.58. N2. P.397-402. DOI: 10.1007/BF02067050 WOS Scopus РИНЦ
Surface Energies of Hematite Faces and Heats of Oxygen Adsorption: Calculations by Modified Semiempirical Interacting Bonds Method
Reaction Kinetics and Catalysis Letters. 1996. V.58. N2. P.397-402. DOI: 10.1007/BF02067050 WOS Scopus РИНЦ
Dates:
Submitted: | Nov 20, 1995 |
Accepted: | Feb 5, 1996 |
Published print: | Jul 1, 1996 |
Identifiers:
Web of science | WOS:A1996VT97600026 |
Scopus | 2-s2.0-0001123743 |
Elibrary | 13224022 |
Chemical Abstracts | 1996:744820 |
Chemical Abstracts (print) | 126:136055 |
OpenAlex | W2051712323 |