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Energy bands of graphite and CsC8-GIC, and CO physisorption on graphite basal surface
Author(s): Yong Yang; Jian Qing Guo; Dong Lu
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Paper Abstract

By using Wannier function constructed from a set of localized functions in a variational procedure, the energy bands of graphite were calculated. And the band structure of CsC8 graphite intercalation compound was calculated with use of the method developed by Ohno, Nakao, and Kamimura. It was found that the results of these calculations were in reasonable agreement with the various literatures. The CO molecule absorption on graphite basal surface was calculated by a cluster model and extended Hackel theory method. It indicated that the CO adsorbates might form a commensurate configuration.

Paper Details

Date Published: 1 November 1991
PDF: 5 pages
Proc. SPIE 1519, International Conference on Thin Film Physics and Applications, (1 November 1991); doi: 10.1117/12.47245
Show Author Affiliations
Yong Yang, Fudan Univ. (China)
Jian Qing Guo, Fudan Univ. (China)
Dong Lu, Fudan Univ. (China)

Published in SPIE Proceedings Vol. 1519:
International Conference on Thin Film Physics and Applications

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