The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene
- Authors
- Chung, Dong Hyen; Guk, Hyein; Kim, Deajin; Han, Sang Soo; Park, Noejung; Choi, Kihang; Choi, Seung-Hoon
- Issue Date
- 2014
- Publisher
- ROYAL SOC CHEMISTRY
- Citation
- RSC ADVANCES, v.4, no.18, pp.9223 - 9228
- Indexed
- SCIE
SCOPUS
- Journal Title
- RSC ADVANCES
- Volume
- 4
- Number
- 18
- Start Page
- 9223
- End Page
- 9228
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/101110
- DOI
- 10.1039/c3ra46626d
- ISSN
- 2046-2069
- 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.
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Collections - College of Science > Department of Chemistry > 1. Journal Articles
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