First-principles study of heat transport properties of graphene nanoribbons

Abstract

We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair ribbons of comparable widths due to an anisotropy in phonon dispersion for graphene nanoribbons: low-frequency bands in zigzag ribbons are more dispersive than those in armchair ribbons. The edges with and without hydrogen-passivation modify the atomic structure and ultimately influence the phonon thermal transport differently for the two ribbon types.

Published in Nano Letters

References in corpus (12)

• Electric Field Effect in Atomically Thin Carbon Films
• Ultrahigh electron mobility in suspended graphene
• Energy Band Gap Engineering of Graphene Nanoribbons
• Energy Gaps in Graphene Nanoribbons
• Graphene Nano-Ribbon Electronics
• Room Temperature All Semiconducting sub-10nm Graphene Nanoribbon Field-Effect Transistors
• Tailoring the atomic structure of graphene nanoribbons by STM lithography
• Thermal Conductivity and Thermal Rectification in Graphene Nanoribbons: a Molecular Dynamics Study
• Self-passivating edge reconstructions of graphene
• Nonequilibrium Green's function approach to mesoscopic thermal transport
• Thermal conductance of graphene and dimerite
• First-principles calculation of the thermodynamics of In${}_x$Ga${}_{1-x}$N alloys: Effect of lattice vibrations