Theoretical Analysis of Dissociative Adsorption of H2O on Ni(100) Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 1992, Volume: 33, Number: 2, Pages: 185-190 Pages count : 6 DOI: 10.1007/BF00781358 | ||
Tags | METAL-SURFACES; OXYGEN; WATER; Ni(110); Pt(111); H-2; CO; Oxygen; Physical Chemistry; Activation Energy | ||
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Abstract:
1. On a clean Ni(100) surface, only molecular adsorption of water is realized. Partial dissociation of H2O 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 (H2O/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]−OH2 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.
Cite:
Avdeev V.I.
, Zakharov I.I.
, Zhidomirov G.M.
Theoretical Analysis of Dissociative Adsorption of H2O on Ni(100)
Journal of Structural Chemistry. 1992. V.33. N2. P.185-190. DOI: 10.1007/BF00781358 WOS Scopus РИНЦ
Theoretical Analysis of Dissociative Adsorption of H2O on Ni(100)
Journal of Structural Chemistry. 1992. V.33. N2. P.185-190. DOI: 10.1007/BF00781358 WOS Scopus РИНЦ
Original:
Авдеев В.И.
, Захаров И.И.
, Жидомиров Г.М.
Теоретический анализ диссоциативной адсорбции H2O на Ni(100)
Журнал структурной химии. 1992. Т.33. №2. С.35-41. РИНЦ
Теоретический анализ диссоциативной адсорбции H2O на Ni(100)
Журнал структурной химии. 1992. Т.33. №2. С.35-41. РИНЦ
Dates:
Submitted: | Apr 30, 1991 |
Published print: | Mar 1, 1992 |
Identifiers:
Web of science | WOS:A1992JR00700006 |
Scopus | 2-s2.0-21144471552 |
Elibrary | 30669576 |
OpenAlex | W2047355084 |