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author:

Ji, Z. (Ji, Z..) [1] | Jalbout, A.F. (Jalbout, A.F..) [2] | Li, J.-Q. (Li, J.-Q..) [3]

Indexed by:

Scopus PKU CSCD

Abstract:

Density functional theory periodic slab calculations were carried out for CO adsorption on a series of Mo modified Pt(111) surfaces to provide an insight into the interaction between CO and doped metal surface, an important issue in CO oxidation as well as in promotion and poisoning effects of catalysis. The modification of adsorption properties with respect to those of adsorption on the pure Mo(110) and Pt(111) is described in terms of changes in the adsorption energies, adsorption sites and vibrational properties occurring upon alloying. We believe that the present DFT calculations can provide important information into optimal alloy composition for CO-tolerance, which is not easily obtained by experimental methods.

Keyword:

Adsorption; Bimetallic surfaces; Carbon monoxide; Density functional calculations; Molybdenum; Platinum

Community:

  • [ 1 ] [Ji, Z.]Department of Chemistry, Fuzhou University, Fuzhou, Fujian 350002, China
  • [ 2 ] [Jalbout, A.F.]Institute of Chemistry, National Autonomous University of Mexico, Mexico City, Mexico
  • [ 3 ] [Li, J.-Q.]Department of Chemistry, Fuzhou University, Fuzhou, Fujian 350002, China
  • [ 4 ] [Li, J.-Q.]State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China

Reprint 's Address:

  • [Jalbout, A.F.]Institute of Chemistry, National Autonomous University of Mexico, Mexico City, Mexico

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Source :

Jiegou Huaxue

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2007

Issue: 7

Volume: 26

Page: 843-849

0 . 6 9 6

JCR@2007

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 0

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