Pozzo, M;
Alfe, D;
Lacovig, P;
Hofmann, P;
Lizzit, S;
Baraldi, A;
(2011)
Thermal Expansion of Supported and Freestanding Graphene: Lattice Constant versus Interatomic Distance.
PHYS REV LETT
, 106
(13)
, Article 135501. 10.1103/PhysRevLett.106.135501.
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Abstract
By using ab initio molecular dynamics calculations, we show that even where the graphene lattice constant contracts, as previously reported for freestanding graphene below room temperature, the average carbon-carbon distance increases with temperature, in both free and supported graphene. This results in a larger corrugation at higher temperature, which can affect the interaction between graphene and the supporting substrate. For a weakly interacting system as graphene/Ir(111), we confirm the results using an experimental approach which gives direct access to interatomic distances.
| Type: | Article |
|---|---|
| Title: | Thermal Expansion of Supported and Freestanding Graphene: Lattice Constant versus Interatomic Distance |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.106.135501 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.106.135501 |
| Language: | English |
| Additional information: | © 2011 American Physical Society |
| Keywords: | SUSPENDED GRAPHENE, MOLECULAR-DYNAMICS, CORE-LEVEL, ALGORITHM, SPECTRUM |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1304706 |
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