Seabourne, CR, Brydson, R, Brown, AP et al. (3 more authors) (2014) EELS modelling of graphitisation. In: Journal of Physics: Conference Series. Electron Microscopy and Analysis Group Conference, 03-06 Sep 2013, University of York. Institute of Physics
Abstract
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/a^2 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.
Metadata
Item Type: | Proceedings Paper |
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Authors/Creators: |
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Copyright, Publisher and 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 |
Keywords: | Graphite; Density functional theory; EELS; ELNES; Radiation damage |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) > Institute for Materials Research (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 13 Jan 2015 11:03 |
Last Modified: | 19 Dec 2022 13:25 |
Published Version: | http://dx.doi.org/10.1088/1742-6596/522/1/012014 |
Status: | Published |
Publisher: | Institute of Physics |
Identification Number: | 10.1088/1742-6596/522/1/012014 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:76269 |