Adsorption sites and ligand effect for CO on an alloy surface: a direct view

článek v časopise - ostatní, Jost

angličtina

CO adsorption on a PtCo(111) surface was studied by scanning tunneling microscopy. Comparison of images with chemical contrast of Pt and Co and images. showing the CO molecules indicates that CO resides exclusively on top of Pt sites and never on Co. CO bonding is highly sensitive to the chemical environment. The probability to find CO on a Pt atom increases drastically with the number of its Co nearest neighbors. Ab initio calculations show that this ligand effect is due to different positions of the center of the Pt d band.

DENSITY-FUNCTIONAL THEORY, TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, THERMAL-DESORPTION, BASIS-SET, PT(111), REACTIVITY, CO(0001), CHEMISORPTION, SUBSTRATE

GAUTHIER, Y.; BUŠ, V.; SCHMID, M.; PADOVANI, S.; LUNDGREN, E.; VARGA, P.; KRESSE, G.; REDINGER, J.

2002

16. 7. 2001

0031-9007

Physical Review Letters

87

3

Spojené státy americké

036103

36106

4