Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
SCIE
SCOPUS
- Title
- Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
- Authors
- Kim, JS; Oh, SY; Lee, G; Koo, YM; Kulkova, SE; Egorushkin, VE
- Date Issued
- 2004-01
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- Abstract
- The electronic structure of Pd-covered TiFe (001) surface was studied using the full-potential linearized augmented plane wave method with local density approximation for the exchange-correlation potential. The electronic structure changes introduced by Pd in the surface layers of B2-TiFe (001) are analyzed. The influence of hydrogen and oxygen on the electronic properties and surface electronic structure of clean B2-TiFe (001) and with monolayer of Pd is discussed. (C) 2003 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.
- Keywords
- hydrogen storage alloy; TiFe; thin films; electronic structure; IRON TITANIUM DEUTERIDE; INTERMETALLIC COMPOUNDS; NEUTRON-DIFFRACTION; SURFACE; PALLADIUM; TIFE
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/29776
- DOI
- 10.1016/S0360-3199(0
- ISSN
- 0360-3199
- Article Type
- Article
- Citation
- INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, vol. 29, no. 1, page. 87 - 92, 2004-01
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