Detail publikace
Adsorpční místa pro CO a efekt ligandů na CO na povrchu slitiny: přímý pohled
GAUTHIER, Y. BUŠ, V. SCHMID, M. PADOVANI, S. LUNDGREN, E. VARGA, P. KRESSE, G. REDINGER, J.
Český název
Adsorpční místa pro CO a efekt ligandů na CO na povrchu slitiny: přímý pohled
Anglický název
Adsorption sites and ligand effect for CO on an alloy surface: a direct view
Typ
článek v časopise - ostatní, Jost
Jazyk
en
Originální abstrakt
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.
Český abstrakt
Adsorpční místa pro CO a efekt ligandů na CO na povrchu slitiny: přímý pohled
Anglický abstrakt
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.
Klíčová slova anglicky
DENSITY-FUNCTIONAL THEORY, TOTAL-ENERGY CALCULATIONS, AUGMENTED-WAVE METHOD, THERMAL-DESORPTION, BASIS-SET, PT(111), REACTIVITY, CO(0001), CHEMISORPTION, SUBSTRATE
Rok RIV
2002
Vydáno
16.07.2001
ISSN
0031-9007
Časopis
Physical Review Letters
Ročník
87
Číslo
3
Počet stran
4
BIBTEX
@article{BUT40578,
author="Y. {Gauthier} and Vladan {Buš} and Michael {Schmid} and S. {Padovani} and E. {Lundgren} and P. {Varga} and G. {Kresse} and J. {Redinger},
title="Adsorption sites and ligand effect for CO on an alloy surface: a direct view",
journal="Physical Review Letters",
year="2001",
volume="87",
number="3",
month="July",
issn="0031-9007"
}