Thermal conductivity of graphene ribbons from equilibrium molecular dynamics: Effect of ribbon width, edge roughness, and hydrogen termination

Thermal conductivity of graphene ribbons from equilibrium molecular dynamics: Effect of ribbon width, edge roughness, and hydrogen termination

We use equilibrium molecular dynamic simulations to compute thermal conductivity of graphene nanoribbons with smooth and rough edges. We also study effects of hydrogen termination. We find that conductivity is the highest for smooth edges and is essentially the same for zigzag and armchair edges. In...

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Bibliographic Details
Published in:Applied physics letters Vol. 96; no. 20; pp. 203112 - 203112-3
Main Authors: Evans, William J., Hu, Lin, Keblinski, Pawel
Format: Journal Article
Language:English
Published: American Institute of Physics 17-05-2010
Online Access:Get full text
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Summary:We use equilibrium molecular dynamic simulations to compute thermal conductivity of graphene nanoribbons with smooth and rough edges. We also study effects of hydrogen termination. We find that conductivity is the highest for smooth edges and is essentially the same for zigzag and armchair edges. In the case of rough edges, the thermal conductivity is a strong function of the ribbon width indicating the important effect of phonon scattering from the edge. Hydrogen termination also reduces conductivity by a significant amount.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.3435465