Isotope Effect on the Thermal Conductivity of Graphene

Abstract

The thermal conductivity (TC) of isolated graphene with different concentrations of isotopes (C13) is studied with equilibrium molecular dynamics method at 300K. In the limit of pure C12 or C13 graphene, TC of graphene in zigzag and armchair directions are ~630 W/mK and ~1000W/mK, respectively. We find that the TC of graphene can be maximally reduced by ~80%, in both armchair and zigzag directions, when a random distribution of C12 and C13 is assumed at different doping concentrations. Therefore, our simulation results suggest an effective way to tune the TC of graphene without changing its atomic and electronic structure, thus yielding a promising application for nanoelectronics and thermoelectricity of graphene based nano-device.

arXiv comment8 pages, 4 figures, to be published in Journal of Nanomaterials

References in corpus (4)

• Electric Field Effect in Atomically Thin Carbon Films
• Optimized Tersoff and Brenner empirical potential parameters for lattice dynamics and phonon thermal transport in carbon nanotubes and graphene
• Thermal Conductivity and Thermal Rectification in Graphene Nanoribbons: a Molecular Dynamics Study
• Enhanced thermoelectric figure of merit in edge disordered zigzag graphene nanoribbons