CO adsorption on Au(110)-(1 x 2): an IRAS investigation
Article Abstract:
Infrared reflection absorption spectroscopy (IRAS) of CO adsorption on the Au(110)-(1 x 2) was done as a function of CO pressure and sample temperature. Results reveal that IRAS study provide information on the adsorption energies and vibrational dynamics of CO/Au(110) systems. It was observed that with increasing coverage, the CO IRAS absorption shifts red from 2118 to 2108 cm(super -1), which indicates environmental insensitivity of the CO vibrational frequency.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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An ab initio molecular orbital study of the hydrogen sorbed site in Co/MoS(sub-2) catalysts
Article Abstract:
A cluster model quantum chemical approach is used to study the electronic structure of Co in bimetallic sulphide catalysts Co/MoS(sub-2). On the basis of the calculations presented it is assumed that the active centre of sulphide Co--Mo catalysts include Co(III) atoms in a d(sup-6)-electronic configuration, which is stabilized by hydrogen species occluded in the catalyst bulk.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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CO adsorption on Pt-Ru surface alloys and on the surface of Pt-Ru bulk alloy
Article Abstract:
The results of first-principle studies for energetic and structural properties of CO adsorbed on the Pt-Ru surface alloys and on the surface of a bulk Pt-Ru alloy is presented. The results showed that the Ru-CO bond strength was increased from 2.0 to 2.1 eV.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
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