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Volumn 105, Issue 17, 2001, Pages 3518-3530

Field-dependent chemisorption of carbon monoxide on platinum-group (111) surfaces: Relationships between binding energetics, geometries, and vibrational properties as assessed by density functional theory

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGETICS; DENSITY FUNCTIONAL THEORY;

EID: 0035799584     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp003263o     Document Type: Article
Times cited : (83)

References (78)
  • 42
    • 33645945246 scopus 로고    scopus 로고
    • note
    • The observed concordance between the intramolecular stretching frequencies at electrochemical and UHV-based interfaces yields a self-consistent Ercrfab) value for the SHE equal to 4.8 (± 0.1) V, in harmony with the majority of independent estimates for this quantity.4
  • 54
    • 33645903178 scopus 로고    scopus 로고
    • (37) More specifically, the latter steric component involves electrostatic interaction between the atomic fragments, with the composite system being described by the determinantal wave function of the antisymmetrized product of the overlapping orbitals, no allowance being made for relaxation of electrons associated with bond formation.
    • , vol.37
  • 62
    • 33645940566 scopus 로고    scopus 로고
    • (43) Wasileski, S. A.; Koper, M. T. M.; Weaver, M. J. Manuscript in preparation.
    • , vol.43
  • 76
    • 33645898277 scopus 로고    scopus 로고
    • note
    • Note, however, this experimental value is obtained by extrapolation to low coverage from data for the saturated (2 × 2) adlayer and is therefore somewhat uncertain.
  • 78
    • 85088176370 scopus 로고    scopus 로고
    • note
    • 52


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.