Density functional study of hydrogen adsorption on selected transition metals and their alloys

• Autorzy: Romanowski S. , Pietrzak T. , Bartczak W. M.
• Języki publikacji: EN

Abstrakty

EN

The present note shows preliminary results of the non-local density functional calculations of energy of the hydrogen adsorption on the alloys NixCU(1)-x, AgxPd(1)-x, AuxPt(1)-x, where 0 < x < 1. The aim of the calculations was to provide an integrated measure of the catalytic power of a given alloy for the H2 dissociation reaction. It was found that the highest value of the catalytic power is exhibited by Nix CU1-x alloys with x between 0.3 and 0.6 and some AUxPtl-x alloys and the neat metals Ni and Pt.

Słowa kluczowe

EN

transition metals; hydrogen; catalysis; density functional calculations

• Wydawca: Centrum Upowszechniania Nauki PAN
• Czasopismo: Bulletin of the Polish Academy of Sciences. Chemistry
• Rocznik: 1999
• Tom: Vol. 47, No. 2
• Strony: 143--151
• Opis fizyczny: Bibliogr. 19 poz.

Twórcy

autor

Romanowski S.

autor

Pietrzak T.

autor

Bartczak W. M.

• Chair of Theoretical Chemistry, University of Łódź, 90-236 Łódź, Pomorska 149/153, Poland