On the effect of patterned hole on the thermal conductivity of Ψ-graphene nanosheet: A molecular dynamics simulation

Abstract

Molecular Dynamics (MD) simulation is used here to evaluate Thermal Conductivity (TC) of perfect and defective ψ-graphene. The defect is applied in the shape of circle, square, diamond, and triangle shapes on the nanosheets. Moreover, vacancy defect is also applied to the nanosheet. The influence of the defect on the TC of the ψ-graphene is investigated. It is shown that TC of the defective ψ-graphene is lower than the perfect one. Besides, to investigate the effect of temperature on the TC of the ψ-graphene, the temperature is changed in the range of 200–700 K. It is shown that the TC is inversely depends on the temperature. However, increasing the temperature leads to increase in the TC of the considered structure.