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Abstract Thermal conductivity of graphene nanoribbons modified by atomic substitution is studied by molecular dynamics simulations. The substitutional doping by nitrogen, boron or silicon results in a non-linear decrease of… Click to show full abstract
Abstract Thermal conductivity of graphene nanoribbons modified by atomic substitution is studied by molecular dynamics simulations. The substitutional doping by nitrogen, boron or silicon results in a non-linear decrease of thermal conductivity (κ) as the dopant concentration (η) is increased, suggesting a saturation in κ when a certain value of η is reached. Beyond dopant concentration, the overall profile of κ shows a strong dependence on edge chirality and the atomic mass of the substitutional atom.
Journal Title: Physica B: Condensed Matter
Year Published: 2019
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