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EELS modelling of graphitisation

Seabourne, CR, Brydson, R, Brown, AP, Latham, CD and Heggie, MI (2014) EELS modelling of graphitisation In: Electron Microscopy and Analysis Group Conference 2013 (EMAG2013), 2013-09-03 - 2013-09-06, University of York.

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The impact of graphitisation-type processes on the carbon K-edge ELNES is explored for model systems using the CASTEP density functional theory code. For c lattice direction expansion, contraction of spectral peaks occurs between 20 and 27 eV above the edge onset, for a/b lattice dimension expansion spectral peaks are heavily compressed in terms of energy separation and are shifted towards the edge-onset, consistent with a 1/a2 relationship. For a nanotube model system, it is shown that for higher curvature, an additional feature was observed in the spectrum ~5 eV, arguably consistent with 'fullerene'-type character.

Item Type: Conference or Workshop Item (Conference Paper)
Divisions : Faculty of Engineering and Physical Sciences > Chemistry
Authors :
Seabourne, CR
Brydson, R
Brown, AP
Latham, CD
Heggie, MI
Date : 11 June 2014
DOI : 10.1088/1742-6596/522/1/012014
Contributors :
ContributionNameEmailORCID, PD of Physics,
Uncontrolled Keywords : EELS, carbon, diamond, graphite, nanotubes, theory
Related URLs :
Additional Information : Content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI. Published under licence by IOP Publishing Ltd.
Depositing User : Symplectic Elements
Date Deposited : 23 Sep 2014 13:47
Last Modified : 31 Oct 2017 16:53

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