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Title: First-principles study of heat transport properties of graphene nanoribbons
Authors: Tan, Z.W.
Wang, J.-S. 
Gan, C.K.
Keywords: Graphene nanoribbons
Nonequilibrium green's function
Phonon dispersion
Thermal transport
Issue Date: 12-Jan-2011
Citation: Tan, Z.W., Wang, J.-S., Gan, C.K. (2011-01-12). First-principles study of heat transport properties of graphene nanoribbons. Nano Letters 11 (1) : 214-219. ScholarBank@NUS Repository.
Abstract: We use density-functional theory and the nonequilibrium Green's function method as well as phonon dispersion calculations to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges, with and without hydrogen passivation. We find that low-frequency phonon bands of the zigzag ribbons are more dispersive than those of the armchair ribbons and that this difference accounts for the anisotropy in the thermal conductance of graphene nanoribbons. Comparing our results with data on large-area graphene, edge effects are shown to contribute to thermal conductance, enhance the anisotropy in thermal conductance of graphene nanoribbons, and increase thermal conductance per unit width. The edges with and without hydrogen passivation modify the atomic structure and ultimately influence the phonon thermal transport differently for the two ribbon types. © 2011 American Chemical Society.
Source Title: Nano Letters
ISSN: 15306984
DOI: 10.1021/nl103508m
Appears in Collections:Staff Publications

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