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Theoretical analysis of dissociative adsorption of H 2O on Ni(100)статья
Информация о цитировании статьи получена из
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Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Avdeev V.I., Zakharov I.I., Zhidomirov G.M.
- Журнал: Journal of Structural Chemistry
- Том: 33
- Номер: 2
- Год издания: 1992
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 185
- Последняя страница: 190
- DOI: 10.1007/BF00781358
- Аннотация: In conclusion, let us note the principal results of the calculation. 1. On a clean Ni(100) surface, only molecular adsorption of water is realized. Partial dissociation of H 2O is thermodynamically allowed process; however, dissociation of water is impossible because of kinetic limitations. 2. Modification of the nickel surface by oxygen stabilizes the donor-acceptor pair (H 2O/O) on the surface and removes the kinetic limitation in decomposition of water, through a substantial reduction of the activation energy of dissociation. 3. The promoting role of oxygen is manifested in an increase in the nonuniformity of electron density on the nickel surface in the vicinity of the [Ni]-OH 2 bond, which makes it possible to open up a new channel of the reaction in which a high degree of energy compensation in the water dissociation reaction is possible. © 1992 Plenum Publishing Corporation.
- Добавил в систему: Жидомиров Георгий Михайлович