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Electron spectroscopy of carbon materials: Experiment and theory

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posted on 2023-06-08, 08:09 authored by A A El-Barbary, S Trasobares, C P Ewels, O Stephan, AV Okotrub, LG Bulusheva, C J Fall, M I Heggie
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.

History

Publication status

  • Published

File Version

  • Published version

Journal

Journal of Physics: Conference Series

ISSN

17426588

Publisher

Institute of Physics

Issue

1

Volume

26

Page range

149-152

Department affiliated with

  • Chemistry Publications

Full text available

  • Yes

Peer reviewed?

  • Yes

Legacy Posted Date

2012-02-06

First Open Access (FOA) Date

2016-03-22

First Compliant Deposit (FCD) Date

2016-08-17

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