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Lattice thermal conductivity of pure and doped (B, N) Graphene

In this paper, the effect of B and N doping on the phonon induced thermal conductivity of graphene has been investigated. This study is important when one has to evaluate the usefulness of electronic properties of B and N doped graphene. We have performed the calculations by employing density functional perturbation theory(DFPT) to calculate the inter-atomic forces/force constants of pristine/doped graphene.

Download Mann_2020_Mater._Res._Express_7_095003.pdf — 919 KB