Suppressed Thermal Conductivity of Bilayer Graphene with Vacancy-Initiated Linkages

Through larger-scale molecular dynamics simulations, we investigated the impacts from vacancy-initiated linkages on the thermal conductivity of bilayer graphene sheets (of size L x W = 24.5 nm x 3.7 nm). Three different interlayer linkages, including divacancy bridging, spiro interstitial bridging and Frenkel pair defects, are considered. It is found that the presence of interlayer linkages induces a significant degradation in the thermal conductivity of the bilayer graphene sheet. The degradation is strongly dependent on the interlayer linkage type, concentration and location. More importantly, the linkages that contain vacancies lead to more severe suppression of the thermal conductivity, in agreement with theoretical predictions that vacancies induce strong phonon scattering. Our finding provides useful guidelines for the application of multilayer graphene sheets in practical thermal management.