The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene

Title
The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene
Authors
정동현국혜인김대진한상수박노정최기항최승훈
Keywords
Stacking fault; Diffusion; Hydrogen; Graphene
Issue Date
2014-05
Publisher
RSC advances
Citation
VOL 4, NO 18, 9223-9228
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 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.
URI
http://pubs.kist.re.kr/handle/201004/47226
ISSN
20462069
Appears in Collections:
KIST Publication > Article
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