Phononic Thermal Transport along Graphene Grain Boundaries: A Hidden Vulnerability.

ABSTRACT: While graphene grain boundaries (GBs) are well characterized experimentally, their influence on transport properties is less understood. As revealed here, phononic thermal transport is vulnerable to GBs even when they are ultra-narrow and aligned along the temperature gradient direction. Non-equilibrium molecular dynamics simulations uncover large reductions in the phononic thermal conductivity (κ_p ) along linear GBs comprising periodically repeating pentagon-heptagon dislocations. Green's function calculations and spectral energy density analysis indicate that the origin of the κ_p reduction is hidden in the periodic GB strain field, which behaves as a reflective diffraction grating with either diffuse or specular phonon reflections, and represents a source of anharmo

SUBMITTER: Tong Z 

PROVIDER: S-EPMC8456227 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature