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Lee, Geunsik
Electronic Structure and Transport in Condensed Materials
Research Interests
  • open quantum system, non-equilibrium electron transport
  • electron correlation, dynamical mean field theory
  • 2D materials, metal complexes

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Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating

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Title
Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
Other Titles
Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
Author
Kim, J.S.Oh, S.Y.Lee, GeunsikKoo, Y.M.Kulkova, S.E.Egorushkin, V.E.
Issue Date
2004-01
Publisher
PERGAMON-ELSEVIER SCIENCE LTD
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
URI
https://scholarworks.unist.ac.kr/handle/201301/13279
URL
http://www.sciencedirect.com/science/article/pii/S036031990300051X
DOI
10.1016/S0360-3199(03)00051-X
ISSN
0360-3199
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CHM_Journal Papers
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