Abstract
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.
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The authors thank Ms. Soumya R. Belur for her assistance with the preparation of the figures.
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Muley, S.V., Ravindra, N.M. Thermoelectric Properties of Pristine and Doped Graphene Nanosheets and Graphene Nanoribbons: Part I. JOM 68, 1653–1659 (2016). https://doi.org/10.1007/s11837-016-1871-8
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DOI: https://doi.org/10.1007/s11837-016-1871-8