Thermal expansion of graphene

We have studied the thermal expansion of graphene by using a combination of ab initio molecular dynamics calculations and high-resolution core level photoelectron spectroscopy measurements.

M. Pozzo et al., Phys. Rev. Lett. 106, 135501 (2011)


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.

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Thermal Expansion of Supported and Freestanding Graphene: Lattice Constant versus Interatomic Distance;
Monica Pozzo, Dario Alfè, Paolo Lacovig, Philip Hofmann, Silvano Lizzit, and Alessandro Baraldi;
Phys. Rev. Lett. 106, 135501 (2011).
Last Updated on Wednesday, 01 October 2014 11:58