Hydrogen-passivated graphene antidot structures for thermoelectric applications

Abstract

In this work, we present a theoretical investigation of the thermal conductivity of hydrogen-passivated graphene antidot lattices. Using a fourth nearest-neighbor force constant method, we evaluate the phonon dispersion of hydrogen-passivated graphene antidot lattices with circular, hexagonal, rectangular and triangular shapes. Ballistic transport models are used to evaluate the thermal conductivity. The calculations indicate that the thermal conductivity of hydrogen-passivated graphene antidot lattices can be one fourth of that of a pristine graphene sheet. This reduction is stronger for right-triangular and iso-triangular antidots among others, all with the same area, due to longer boundaries and the smallest distance between the neighboring dots.