▎ 摘 要
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 (center dot center dot center dot C-2O-C center dot center dot center dot) about five times higher than that along the zigzag (center dot center dot center dot C-C center dot center dot center dot) direction. The predicted thermal conductivity (>3000Wm(-1)K(-1) at 300K) of graphene monoxide is 80% of that of graphene along the armchair direction for large sample lateral sizes (>5 mu m). 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. (C) 2013 AIP Publishing LLC.