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We use non-equilibrium molecular dynamics simulations to study the adverserole of defects including isotopic impurities on the thermal conductivity ofcarbon nanotubes, graphene and graphene nanoribbons. We find that even instructurally perfect nanotubes and graphene, isotopic impurities reduce thermalconductivity by up to one half by decreasing the phonon mean free path. An evenlarger thermal conductivity reduction, with the same physical origin, occurs inpresence of structural defects including vacancies and edges in narrow graphenenanoribbons. Our calculations reconcile results of former studies, whichdiffered by up to an order of magnitude, by identifying limitations of variouscomputational approaches.

Computational study of the thermal conductivity in defective carbon nanostructures