Dispersion of transition metal atoms in fragmented graphitic shells and hydrogen adsorption therein
SCIE
SCOPUS
- Title
- Dispersion of transition metal atoms in fragmented graphitic shells and hydrogen adsorption therein
- Authors
- Kim, G; Park, N; Jhi, SH
- Date Issued
- 2008-05
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Abstract
- We carried out first-principles calculations to study various metal-dispersed graphitic fragments for application to hydrogen storages. Metal-graphitic fragments binding strength and hydrogen-metal binding characteristics were particularly investigated. It was found that structural imperfections and chemical modifications can lead to an enhancement of metal-graphitic fragment binding energy, which is critical to avoid metal aggregation that deteriorates hydrogen uptake. Hydrogen binding characteristics of metal-dispersed graphitic fragments are discussed in terms of atomic and electronic structures. (C) 2007 Elsevier Ltd. All rights reserved.
- Keywords
- fullerenes; nanostructures; ab initio calculations; surface properties; STORAGE; PHYSISORPTION
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/22704
- DOI
- 10.1016/j.jpcs.2007.10.058
- ISSN
- 0022-3697
- Article Type
- Article
- Citation
- JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, vol. 69, no. 5-6, page. 1185 - 1187, 2008-05
- Files in This Item:
- There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.