1 November 1991 Energy bands of graphite and CsC8-GIC, and CO physisorption on graphite basal surface
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Proceedings Volume 1519, International Conference on Thin Film Physics and Applications; (1991) https://doi.org/10.1117/12.47245
Event: International Conference on Thin Film Physics and Applications, 1991, Shanghai, China
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.
© (1991) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Yong Yang, Jian Qing Guo, Dong Lu, "Energy bands of graphite and CsC8-GIC, and CO physisorption on graphite basal surface", Proc. SPIE 1519, International Conference on Thin Film Physics and Applications, (1 November 1991); doi: 10.1117/12.47245; https://doi.org/10.1117/12.47245
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