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- W1967031699 abstract "We examined the diffusion of hydrogen atoms in mono-, bi- and tetralayer graphene with AB stacking and two bilayer graphene with stacking faults using density functional theory. The bi- and tetralayer graphene provide diffusion pathways with lower energy barriers inside the interlayer space. Inside the bi- and tetralayer graphene with AB stacking, the in-plane diffusion is more favorable than the inter-plane jumping. However, the stacking faults made by sliding layer planes lowers the energy barrier of the inter-plane jumping and the effective frequency of the inter-plane jump is larger than that of the in-plane diffusion inside the graphene layers with the stacking faults. This suggests that hydrogen atoms can diffuse over a long distance inside few-layered graphene with stacking faults jumping consecutively between adjacent layers." @default.
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- W1967031699 date "2014-01-01" @default.
- W1967031699 modified "2023-09-23" @default.
- W1967031699 title "The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene" @default.
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- W1967031699 doi "https://doi.org/10.1039/c3ra46626d" @default.
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