Stone–Wales Bilayer Graphene: Structure, Stability, and Interlayer Heat Transfer

The structure, stability, and interlayer heat transfer of Stone–Wales bilayer graphene have been studied within a nonorthogonal tight binding model. The most stable configuration has been identified among several metastable isomers differing in the mutual arrangement of the layers. It has been established that the structure under consideration is characterized by a stronger interlayer interaction than bilayer graphene, but its stiffness in the vertical direction is 17% smaller. The heat transfer between two layers of Stone–Wales graphene, one of which is initially cooled to 0 K and the second is heated to 77−7000 K, has been studied by the molecular dynamics method. The strain dependence of the interlayer heat transfer of the bilayer structure under study has been determined. It has been shown that the intensity of interlayer heat transfer strongly depends on the temperature and strain. Features of the interlayer interaction in Stone–Wales bilayer graphene that are atypical of usual bilayer graphene have been revealed and explained.