Details

Autor(en) / Beteiligte

• Kim, J.S.
• Oh, S.Y.
• Lee, G.
• Koo, Y.M.
• Kulkova, S.E.
• Egorushkin, V.E.

Titel

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

Ist Teil von

• International journal of hydrogen energy, 2004, Vol.29 (1), p.87-92

Ort / Verlag

Oxford: Elsevier Ltd

Erscheinungsjahr

2004

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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.