Authors
Monica Pozzo, Dario Alfe, Paolo Lacovig, Philip Hofmann, Silvano Lizzit, Alessandro Baraldi
Publication date
2011/4/1
Journal
Physical review letters
Volume
106
Issue
13
Pages
135501
Publisher
American Physical Society
Description
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 , we confirm the results using an experimental approach which gives direct access to interatomic distances.
Total citations
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