Anisotropic thermal conductivity of semiconducting graphene monoxide

Abstract

The intrinsic thermal conductivity of monolayer graphene monoxide is determined via first-principles calculations. The phonon transport in graphene monoxide is anisotropic, with the lattice thermal conductivity along the armchair direction (…C-2O-C…) about five times higher than that along the zigzag (…C-C…) direction. The predicted thermal conductivity (>3000 Wm−1K−1 at 300 K) of graphene monoxide is 80% of that of graphene along the armchair direction for large sample lateral sizes (>5 μm). In addition, heat is predominantly carried by longitudinal acoustic phonons along the armchair direction, while the contribution from the transverse acoustic phonon mode is prevalent along the zigzag direction.