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Volumn 129, Issue 9, 2007, Pages 2642-2647

Origin of oxide sensitivity in gold-based catalysts: A first principle study of CO oxidation over Au supported on monoclinic and tetragonal ZrO 2

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GOLD COMPOUNDS; OXIDATION; PHASE TRANSITIONS;

EID: 33847631233     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja067510z     Document Type: Article
Times cited : (107)

References (51)
  • 1
    • 0037436556 scopus 로고    scopus 로고
    • Bell, A. T. Science 2003, 299, 1688.
    • (2003) Science , vol.299 , pp. 1688
    • Bell, A.T.1
  • 39
    • 33847626226 scopus 로고    scopus 로고
    • http://www.netlib.org/scalapack/scalapack_home.html.
  • 47
    • 33847631530 scopus 로고    scopus 로고
    • It may be borne in mind that the O2 adsorption energy on metal systems is generally overestimated by DFT See refs 50, 51
    • It may be borne in mind that the O2 adsorption energy on metal systems is generally overestimated by DFT (See refs 50, 51).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.