A comprehensive analysis about thermal conductivity of multi-layer graphene with N-doping, -CH3 group, and single vacancy

摘要: Graphene has received great attention due to its fascinating thermal properties. The inevitable defects in graphene, such as single vacancy, doping, and functional group, greatly affect the conductivity. sole effect of these on conductivity been widely studied, while mechanisms coupling effects are still open. We studied combined with N-doping, -CH3 vacancy multi-layer graphene at various temperatures using equilibrium molecular dynamics Green-Kubo theory. Taguchi orthogonal algorithm is used evaluate sensitivity vacancy. Sole factor analysis shows that always strongest 300 K, 700 K, 1500 K. However, for three defects, defect only plays a significant role modification 300 K group dominates reduction phonon dispersion calculated spectral energy density approach explain temperature dependence. further decreases compared any both 700 K. weaker stronger Umklapp scattering 1500 K, which seriously covers almost all gaps relation, significantly reducing lifetimes. Therefore, dependence appears defects.Graphene the...