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Thermal Expansion of Supported and Freestanding Graphene:Lattice Constant versus Interatomic Distance

Pozzo M.
•
Alfe`D
•
LACOVIG, PAOLO
altro
BARALDI, Alessandro
2011
  • journal article

Periodico
PHYSICAL REVIEW LETTERS
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.
DOI
10.1103/PhysRevLett.106.135501
WOS
WOS:000288901200013
Archivio
http://hdl.handle.net/11368/2335061
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-79960635857
http://prl.aps.org/abstract/PRL/v106/i13/e135501
Diritti
metadata only access
Soggetti
  • Graphene

  • thermal expansion

  • core level spectrosco...

  • density functional th...

  • molecular dynamics si...

Web of Science© citazioni
136
Data di acquisizione
Mar 18, 2024
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