Detail publikačního výsledku

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

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

Originální název

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

Anglický název

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

Druh

Článek recenzovaný mimo WoS a Scopus

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.

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 v angličtině

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

Autoři

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

Vydáno

16.07.2001

ISSN

0031-9007

Periodikum

PHYSICAL REVIEW LETTERS

Svazek

87

Číslo

3

Stát

Spojené státy americké

Strany od

036103

Strany počet

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",
  pages="4",
  issn="0031-9007"
}