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.
- 出版日期2013-6-3