Thermal transport engineering in single layered graphene sheets via MD simulations: On the effect of nickel coating

摘要

The main aim of this paper is to investigate the effect of the coating layer on the thermal properties of Ni-coated graphene sheets. In this regard, non-equilibrium molecular dynamics simulations have been carried out to provide detailed information on the thermal properties of Ni-coated graphene sheets. It has been observed that with increasing coating ratio to 0.5, the thermal conductivity reduces to only about 60 of the corresponding value for the pristine graphene. However, by increasing the coating ratio, thermal conductivity converged to an asymptotic value at the coating ratio equals to 2. Keeping this coating percentage fixed, nickel atoms are also distributed on the graphene sheet in different patterns such as random half-side coating, spectral, agglomerated, checkered and strips. It is revealed that by using different nickel coating patterns, thermal properties of the pristine graphene can be highly tunable.