INTERPRETATION OF A CO-ADSORBATE-INDUCED TILT - (2X2)(CO+O) ON RU(001)

Authors
WANG RLC KREUZER HJ MENZEL D
Citation
Rlc. Wang et al., INTERPRETATION OF A CO-ADSORBATE-INDUCED TILT - (2X2)(CO+O) ON RU(001), Zeitschrift für physikalische Chemie, 202, 1997, pp. 205-211
Citations number
14
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Zeitschrift für physikalische Chemie → ACNP
ISSN journal
09429352
Volume
202
Year of publication
1997
Part
1-2
Pages
205 - 211
Database
ISI
SICI code
0942-9352(1997)202:<205:IOACT->2.0.ZU;2-#
Abstract
The tilting of CO in the (2 x 2)(CO + O) structure on Ru(001) is inves tigated in a cluster model based on density functional theory. It is s hown that the charge on the co-adsorbed oxygen creates a local electro static field at the adsorption site of CO which modifies the metal-car bon and the C-O bonds. Thus the tilt is another example of field-induc ed chemistry.