Title of article
Theoretical study of the electronic structure and hydrogen adsorption properties in B2-TiFe thin films with Pd coating
Author/Authors
Kim، نويسنده , , J.S. and Oh، نويسنده , , S.Y. and Lee، نويسنده , , Simon G. M. KOO، نويسنده , , Y.M. and Kulkova، نويسنده , , S.E. and Egorushkin، نويسنده , , V.E.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
6
From page
87
To page
92
Abstract
The electronic structure of Pd-covered TiFe (0 0 1) 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 (0 0 1) are analyzed. The influence of hydrogen and oxygen on the electronic properties and surface electronic structure of clean B2-TiFe (0 0 1) and with monolayer of Pd is discussed.
Keywords
Hydrogen storage alloy , TiFe , Thin films , Electronic structure
Journal title
International Journal of Hydrogen Energy
Serial Year
2004
Journal title
International Journal of Hydrogen Energy
Record number
1649881
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