Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons

Cheng Cheng^{1, †,}, Han Han¹, Ren Cui-Lan^{1, 2}, Wang Chang-Ying^{1, 3}, Shao Kuan¹, Huai Ping^{1, ‡,}

Absolute values of U atom adsorption energies on the hollow sites of the different systems considered by LDA and PBE: (4×4) graphene super cell, the hollow sites of diffusing paths on armchair-GNRs and zigzag-GNRs (shown in Figs. 5,7, and 9). For instance, Arm-A1-H denotes the binding energy of the starting hollow site of diffusion path A1 in armchair-GNRs system.