1742-6596_26_1_035.pdf (171.07 kB)
Electron spectroscopy of carbon materials: Experiment and theory
journal contribution
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 HeggieWe 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 SeriesISSN
17426588Publisher
Institute of PhysicsExternal DOI
Issue
1Volume
26Page range
149-152Department affiliated with
- Chemistry Publications
Full text available
- Yes
Peer reviewed?
- Yes
Legacy Posted Date
2012-02-06First Open Access (FOA) Date
2016-03-22First Compliant Deposit (FCD) Date
2016-08-17Usage metrics
Categories
No categories selectedKeywords
Licence
Exports
RefWorks
BibTeX
Ref. manager
Endnote
DataCite
NLM
DC