Surface Energies of Hematite Faces and Heats of Oxygen Adsorption: Calculations by Modified Semiempirical Interacting Bonds Method Научная публикация
Журнал |
Reaction Kinetics and Catalysis Letters
ISSN: 0133-1736 , E-ISSN: 1588-2837 |
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Вых. Данные | Год: 1996, Том: 58, Номер: 2, Страницы: 397-402 Страниц : 6 DOI: 10.1007/BF02067050 | ||
Ключевые слова | Atomic structure, Faces of corundum-type oxides, Heats of oxygen adsorption, Semiempirical calculations, Surface energies | ||
Авторы |
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Организации |
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Информация о финансировании (1)
1 | International Science Foundation | RPV000 |
Реферат:
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.
Библиографическая ссылка:
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
Даты:
Поступила в редакцию: | 20 нояб. 1995 г. |
Принята к публикации: | 5 февр. 1996 г. |
Опубликована в печати: | 1 июл. 1996 г. |
Идентификаторы БД:
Web of science | WOS:A1996VT97600026 |
Scopus | 2-s2.0-0001123743 |
РИНЦ | 13224022 |
Chemical Abstracts | 1996:744820 |
Chemical Abstracts (print) | 126:136055 |
OpenAlex | W2051712323 |