The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene
Cited 0 times in
Cited 0 times in
- Title
- The effect of the stacking fault on the diffusion of chemisorbed hydrogen atoms inside few-layered graphene
- Author
- Chung, Dong Hyen; Guk, Hyein; Kim, Deajin; Han, Sang Soo; Park, Noejung; Choi, Kihang; Choi, Seung-Hoon
- Keywords
- ILAYER GRAPHENE; KINETIC-PROPERTIES; GRAPHITE; STATE; SPILLOVER; DYNAMICS; CHEMISTRY; GRAPHANE; SYSTEMS; SINGLE
- Issue Date
- 2014
- Publisher
- ROYAL SOC CHEMISTRY
- Citation
- RSC ADVANCES, v.4, no.18, pp.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 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.
- URI
- ; Go to Link
- DOI
- http://dx.doi.org/10.1039/c3ra46626d
- ISSN
- 2046-2069
-
Appears in Collections:
- SNS_Journal Papers
can give you direct access to the published full text of this article. (UNISTARs only)
Show full item record
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.