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Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces
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10.1063/1.2794744
/content/aip/journal/jcp/127/15/10.1063/1.2794744
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/15/10.1063/1.2794744

Figures

Image of FIG. 1.
FIG. 1.

Calculated density of states for CN adsorbed on (a) Ag(111) and (b) Pt(111), projected onto CN molecular orbitals. Both spin and orbital degeneracies have been included, and the molecular orbitals were obtained using the same C–N binding distance as for the adsorbed molecule. The vertical lines are the calculated positions of the molecular orbitals for gas phase CN. The legend in (a) is also valid for (b).

Image of FIG. 2.
FIG. 2.

Same as for Fig. 1, but for CO.

Image of FIG. 3.
FIG. 3.

Calculated density of states for CN adsorbed on (111) surfaces of Ag, Cu, Au, and Pt, projected onto the molecular orbitals. The spin degeneracy has been included.

Image of FIG. 4.
FIG. 4.

Calculated density of states for CO adsorbed on (111) surfaces of Ag, Cu, Au, and Pt, projected onto the molecular orbitals. Both spin and orbital degeneracies have been included.

Tables

Generic image for table
Table I.

Calculated and experimental vibrational energies (in ) and lifetimes (in ps) for the internal stretch modes of CN and CO at atop sites on (111) surfaces of Ag, Cu, Au, and Pt.

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/content/aip/journal/jcp/127/15/10.1063/1.2794744
2007-10-16
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/15/10.1063/1.2794744
10.1063/1.2794744
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