DOI: 10.1063/1.4732155. Edge effect on thermal transport in graphene nanoribbons: A phonon localization mechanism beyond edge roughness scattering

Edge effect on thermal transport in graphene nanoribbons: A phonon localization mechanism beyond edge roughness scattering

10.1063/1.4732155

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

Equilibrium molecular dynamics simulations show that graphene nanoribbons (GNRs) with zigzag edges have higher thermal conductivity (κ) than armchair-edged ones, and the difference diminishes with increasing temperature or ribbon width. The dominant phonon wavelength for thermal transport can be much longer (by orders of magnitude) than the difference between the “roughness” of smooth zigzag and armchair edges. Therefore, the roughness scattering theory is not sufficient to explain the largely different κ of GNRs with different edge chiralities. Cross-sectional decomposition of the steady-state heat flux shows significant suppression of thermal transport at edges, especially in armchair ones. This behavior is explored by phonon spectra analysis. Considerable phonon localization at edges is concluded to underlie the edge-chirality dependent κ of GNRs.

Bibliography

Wang, Y., Qiu, B., & Ruan, X. (2012). Edge effect on thermal transport in graphene nanoribbons: A phonon localization mechanism beyond edge roughness scattering. Applied Physics Letters, 101(1).

Authors 3

Yan Wang (first)
Bo Qiu (additional)
Xiulin Ruan (additional)

References 30 Referenced 98

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See supplementary material at http://dx.doi.org/10.1063/1.4732155 for the details of how to determine appropriate parameters for equilibrium molecular dynamics simulations using the Green-Kubo method.
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Dates

Type	When
Created	13 years, 2 months ago (July 2, 2012, 7:37 p.m.)
Deposited	2 years, 2 months ago (June 24, 2023, 11:14 p.m.)
Indexed	1 month ago (Aug. 6, 2025, 9:58 a.m.)
Issued	13 years, 2 months ago (July 2, 2012)
Published	13 years, 2 months ago (July 2, 2012)
Published Online	13 years, 2 months ago (July 2, 2012)
Published Print	13 years, 2 months ago (July 2, 2012)

Funders 0

None

BibTeX

@article{Wang_2012, title={Edge effect on thermal transport in graphene nanoribbons: A phonon localization mechanism beyond edge roughness scattering}, volume={101}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.4732155}, DOI={10.1063/1.4732155}, number={1}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Wang, Yan and Qiu, Bo and Ruan, Xiulin}, year={2012}, month=jul }

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