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Analysis of Electron Spectra of Carbon Allotropes (Diamond, Graphite, Fullerene) by Density Functional Theory Calculations Using the Model Molecules

✍ Scribed by Endo, K.; Koizumi, S.; Otsuka, T.; Ida, T.; Morohashi, T.; Onoe, J.; Nakao, A.; Kurmaev, E. Z.; Moewes, A.; Chong, D. P.

Book ID
120985042
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
201 KB
Volume
107
Category
Article
ISSN
1089-5639

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## Abstract We propose a new approach for analysis of Auger electron spectra (AES) of polymers by density functional theory (DFT) calculations with the Slater's transition‐state concept. Simulated AES and X‐ray photoelectron spectra (XPS) of four polymers [(CH~2~CH~2~)~__n__~ (PE), (CH~2~CH(CH~3~))