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Extended interplanar linking in graphite formed from vacancy aggregates
Department of Chemistry, University of Surrey.
Department of Chemistry, University of Surrey.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
Department of Chemistry, University of Surrey.
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2013 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 111, no 9, 95501Article in journal (Refereed) Published
Abstract [en]

The mechanical and electrical properties of graphite and related materials such as multilayer graphene depend strongly on the presence of defects in the lattice structure, particularly those which create links between adjacent planes. We present findings which suggest the existence of a new type of defect in the graphite or graphene structure which connects adjacent planes through continuous hexagonal sp² bonding alone and can form through the aggregation of individual vacancy defects. The energetics and kinetics of the formation of this type of defect are investigated with atomistic density functional theory calculations. The resultant structures are then employed to simulate high resolution transmission electron microscopy images, which are compared to recent experimental images of electron irradiation damaged graphite.

Place, publisher, year, edition, pages
2013. Vol. 111, no 9, 95501
Research subject
Scientific Computing
URN: urn:nbn:se:ltu:diva-4875DOI: 10.1103/PhysRevLett.111.095501Local ID: 2e04b38b-a977-47ca-89ca-76cadc5ed5a3OAI: diva2:977749
Validerad; 2013; 20130904 (latham)Available from: 2016-09-29 Created: 2016-09-29Bibliographically approved

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