Corrugated Single-Layer Graphite Sheet as a Model of Stepped Surface of a Crystal Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 2005, Volume: 46, Number: 1, Pages: 9-15 Pages count : 7 DOI: 10.1007/s10947-006-0002-8 | ||
Tags | Adsorption of hydrogen, Electronic structure, Graphite, High-index surfaces | ||
Authors |
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Affiliations |
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Funding (2)
1 | Russian Foundation for Basic Research | 02-03-32541 |
2 | Council for Grants of the President of the Russian Federation | НШ-1140.2003.3 |
Abstract:
Electronic structure calculations have been performed for flat graphite sheets and periodically distorted sheets with different values of deformation angle and hydrogen adsorption. These characteristics do not all behave monotonically with increasing deformation angle. At small deformation angles, the electrons pass from the atoms of terraces to those of edges, while at larger angles the reverse pattern is observed. The position of the Fermi level also varies nonmonotonically. The binding energy of hydrogen depends significantly on the adsorption site, and the difference can be doubled. Based on the ata obtained, it was concluded that a priori statements derived from the “general concepts” on the difference in the physicochemical properties of, for example, terrace and edge atoms on high-index facets are unreliable.
Cite:
Tapilin V.M.
Corrugated Single-Layer Graphite Sheet as a Model of Stepped Surface of a Crystal
Journal of Structural Chemistry. 2005. V.46. N1. P.9-15. DOI: 10.1007/s10947-006-0002-8 WOS Scopus РИНЦ
Corrugated Single-Layer Graphite Sheet as a Model of Stepped Surface of a Crystal
Journal of Structural Chemistry. 2005. V.46. N1. P.9-15. DOI: 10.1007/s10947-006-0002-8 WOS Scopus РИНЦ
Original:
Тапилин В.М.
Однослойный гофрированный графитовый лист как модель ступенчатой поверхности кристалла
Журнал структурной химии. 2005. Т.46. №1. С.11-17. РИНЦ
Однослойный гофрированный графитовый лист как модель ступенчатой поверхности кристалла
Журнал структурной химии. 2005. Т.46. №1. С.11-17. РИНЦ
Dates:
Submitted: | Dec 9, 2003 |
Published print: | Jan 1, 2005 |
Identifiers:
Web of science | WOS:000237363900002 |
Scopus | 2-s2.0-33744989679 |
Elibrary | 13474284 |
Chemical Abstracts | 2006:474177 |
Chemical Abstracts (print) | 144:496045 |
OpenAlex | W2331012091 |