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- Lee, Geunsik
- Computational Research on Electronic Structure and Transport in Condensed Materials
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Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
- Alternative Title
- Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
- Author(s)
- Kim, J.S., Oh, S.Y., Lee, Geunsik, Koo, Y.M., Kulkova, S.E., Egorushkin, V.E.
- Issued Date
- 2004-01
- Citation
- INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, v.29, no.1, pp.87 - 92
- 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
- Publisher
- PERGAMON-ELSEVIER SCIENCE LTD
- ISSN
- 0360-3199
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