Thermoelectric Properties of Pristine and Doped Graphene Nanosheets and Graphene Nanoribbons: Part I

摘要

Thermal conductivity of pristine and doped graphene nanosheets and nanoribbons has been studied as a function of their width and length using non-equilibrium molecular dynamics simulations. Calculations of electronic thermal conductivity are presented for these structures using density functional theory (DFT). Effects of p- and n-type doping, presence of vacancies, effect of number of layers, and temperature have been presented.