Fig. 4. Li2S decomposition and lithium ion diffusion barriers on the surface of nickel and graphene.
(A) Comparison of the Li2S decomposition and lithium ion diffusion barriers on the surface of nickel, graphene basal plane, and graphene edge. Energy profiles for the decomposition of Li2S cluster and lithium ion diffusion on the surface of (B) graphene edge, (C) graphene basal plane, and (D) nickel. Inset figures are top-view schematic representations of the corresponding decomposition and lithium ion diffusion pathways for graphene edge, graphene basal plane, and nickel. Here, green, yellow, gray, and beige balls symbolize lithium, sulfur, nickel, and carbon atoms, respectively.