Theoretical Analysis of the Adsorption of Carbon on Ni (100) Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
||
---|---|---|---|
Output data | Year: 1986, Volume: 27, Number: 3, Pages: 371-375 Pages count : 5 DOI: 10.1007/BF00751811 | ||
Tags | Physical Chemistry; Inorganic Chemistry; Theoretical Analysis | ||
Authors |
|
||
Affiliations |
|
Abstract:
The Hartree--Fock method has been used in the cluster approximation in calculations on the equilibrium configurations of carbon on an Ni(100) surface. Allowance is made for the valence-electron correlation energy to estimate the binding energies of carbon on nickel for linear, bridge, and four-coordinated forms of adsorption. Estimates are made of the vibrational frequencies on the carbon-Ni (i00) bonds for the ground states and low-lying excited ones, The electron-density distributions in the bonds indicate that there are two forms of adsorbed carbon: carbide and radical.
Cite:
Avdeev V.I.
Theoretical Analysis of the Adsorption of Carbon on Ni (100)
Journal of Structural Chemistry. 1986. V.27. N3. P.371-375. DOI: 10.1007/BF00751811 WOS Scopus РИНЦ
Theoretical Analysis of the Adsorption of Carbon on Ni (100)
Journal of Structural Chemistry. 1986. V.27. N3. P.371-375. DOI: 10.1007/BF00751811 WOS Scopus РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Авдеев В.И.
Теоретический анализ форм адсорбции углерода на Ni(100)
Журнал структурной химии. 1986. Т.27. №3. С.30-35. РИНЦ
Теоретический анализ форм адсорбции углерода на Ni(100)
Журнал структурной химии. 1986. Т.27. №3. С.30-35. РИНЦ
Dates:
Submitted: | Jan 18, 1985 |
Published print: | May 1, 1986 |
Identifiers:
Web of science | WOS:A1986H287400006 |
Scopus | 2-s2.0-34250104130 |
Elibrary | 30832201 |
OpenAlex | W2084487575 |
publication.block.citing_info:
БД | Цитирований |
---|---|
OpenAlex | 1 |