The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene
- The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene
- 정동현; 국혜인; 김대진; 한상수; 박노정; 최기항; 최승훈
- Stacking fault; Diffusion; Hydrogen; Graphene
- Issue Date
- RSC advances
- VOL 4, NO 18, 9223-9228
- 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 interplane 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.
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