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Wigner defects bridge the graphite gap
journal contribution
posted on 2023-06-08, 07:37 authored by Rob H Telling, Chris P Ewels, Ahlam El-Barbary, Malcolm I HeggieWe present findings on the structure, energies and behaviour of defects in irradiated graphitic carbon materials. Defect production due to high-energy nuclear radiations experienced in graphite moderators is generally associated with undesirable changes in internal energy, microstructure and physical properties—the so-called Wigner effect. On the flip side, the controlled introduction and ability to handle such defects in the electron beam is considered a desirable way to engineer the properties of carbon nanostructures. In both cases, the atomic-level details of structure and interaction are only just beginning to be understood. Here, using a model system of crystalline graphite, we show from first-principles calculations, new details in the behaviour of vacancy and interstitial defects. We identify a prominent barrier-state to energy release, reveal a surprising ability of vacancy defects to bridge the widely spaced atomic layers, and discuss physical property and microstructure changes during irradiation, including interactions with dislocations.
History
Publication status
- Published
Journal
Nature MaterialsISSN
1476-1122Publisher
NatureExternal DOI
Issue
5Volume
2Page range
333-337Pages
5.0Department affiliated with
- Chemistry Publications
Notes
MIH directed the research and contributed substantially to the authorship with co-authors from Sussex. This is the first statement that point defects cause cross linking of sheets of graphite. It includes the first serious DFT study of the spiro interstitial and of the interplanar divacancy in graphite. Cited 62 times.Full text available
- No
Peer reviewed?
- Yes
Legacy Posted Date
2012-02-06Usage metrics
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