Electron spectroscopy of carbon materials: Experiment and theory

El-Barbary, A A, Trasobares, S, Ewels, C P, Stephan, O, Okotrub, AV, Bulusheva, LG, Fall, C J and Heggie, M I (2006) Electron spectroscopy of carbon materials: Experiment and theory. Journal of Physics: Conference Series, 26 (1). pp. 149-152. ISSN 17426588

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Abstract

We present a comparative spectroscopic study of carbon as graphite, diamond and C60 using C1s K-edge electron energy-loss spectroscopy (EELS), X-ray emission spectroscopy, and theoretical modelling. The first principles calculations of these spectra are obtained in the local density approximation using a self-consistent Gaussian basis pseudo-potential method. Calculated spectra show excellent agreement with experiment and are able to discriminate not only between various carbon hybridisations but also local variation in environment. Core-hole effects on the calculated spectra are also investigated. For the first time, the EEL spectrum of carbyne is calculated.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: EPrints Services
Date Deposited: 06 Feb 2012 20:53
Last Modified: 06 Mar 2017 14:53
URI: http://sro.sussex.ac.uk/id/eprint/28594

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