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)
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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. Retrieve articleThermal 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). 10.1103/PhysRevLett.106.135501 |
