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Volumn 91-92, Issue , 2004, Pages 171-176

Surface oxygen in catalysts based on transition metal oxides: What can we learn from cluster DFT calculations?

Author keywords

Adsorption of O2 molecule; DFT cluster model study; Surface oxygen centers; Transition metal mixed oxides; Transition metal oxides

Indexed keywords

ADSORPTION; CATALYSIS; CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OXIDATION; OXYGEN; PROBABILITY DENSITY FUNCTION; SURFACE PROPERTIES;

EID: 2942674949     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2004.03.029     Document Type: Conference Paper
Times cited : (31)

References (12)
  • 1
    • 0003308007 scopus 로고    scopus 로고
    • Vanadia catalysts for selective oxidation of hydrocarbons and their derivatives
    • B. Grzybowska-Świerkosz, F. Trifiro, J.C. Vedrine (Eds.), Vanadia Catalysts for Selective Oxidation of Hydrocarbons and Their Derivatives, J. Appl. Catal. 157 (1997) 1.
    • (1997) J. Appl. Catal. , vol.157 , pp. 1
    • Grzybowska-Świerkosz, B.1    Trifiro, F.2    Vedrine, J.C.3
  • 5
    • 2942678432 scopus 로고    scopus 로고
    • D.P. Woodruff (Ed.), Elsevier, (Chapter 4)
    • K. Hermann, M. Witko, in: D.P. Woodruff (Ed.), Oxide Surfaces, Elsevier, 2001 (Chapter 4).
    • (2001) Oxide Surfaces
    • Hermann, K.1    Witko, M.2
  • 8
    • 2942663484 scopus 로고    scopus 로고
    • The program package StoBe is a modified version of the DFT-LCGTO program package DeMon, originally developed by A.St. -Amant and D. Salahub (University of Montreal), with extensions by L.G.M. Pettersson and K. Hermann.
    • The program package StoBe is a modified version of the DFT-LCGTO program package DeMon, originally developed by A.St. -Amant and D. Salahub (University of Montreal), with extensions by L.G.M. Pettersson and K. Hermann.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.