Tuning electronic properties of the S<sub>2</sub>/graphene heterojunction by strains from density functional theory

Tuning electronic properties of the S₂/graphene heterojunction by strains from density functional theory

Lei Jun-Hui, Wang Xiu-Feng, Lin Jian-Guo^†

(color online) Side (a) and top (b) view of the WS₂/graphene heterojunction. The C, W, and S atoms are shown as blue, green, and red balls, respectively. (c) Evolution of the total energy as a function of displacement d of the WS₂ layer relative to graphene.