Investigation of Thermal Properties of Ni-Coated Graphene Nanoribbons Based on Molecular Dynamics Methods

Abstract

The thermal properties of graphene and Ni-coated graphene have been investigated using non-equilibrium molecular dynamics simulations. The results showed that the thermal conductivity of Ni-coated graphene was lower than that of graphene. More excited low-frequency phonons resulted in this decrease. The thermal conductivity of single-layer Ni-coated graphene was 70% of that of graphene, and the thermal conductivity of double-layer Ni-coated graphene was 56% of that of graphene at room temperature. The strong dependence of size on the thermal conductivity of graphene and Ni-coated graphene is discussed in this work. The thermal conductivity of Ni-coated graphene increased with length, but the trend was less pronounced than that of the thermal conductivity of graphene. Because of boundary scattering, the thermal conductivity of Ni-coated graphene increased with increasing width. The temperature effect indicated that the thermal conductivity decreased with increasing temperature from 200 K to 700 K.