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Volumn 343, Issue 3, 1995, Pages 211-220

Electronic factors determining the reactivity of metal surfaces

Author keywords

Alloys; Chemisorption; Copper; Density functional calculations; Hydrogen; Models of surface chemical reactions; Platinum; Surface chemical reaction

Indexed keywords

ALLOYS; CALCULATIONS; CHEMICAL REACTIONS; CHEMISORPTION; COPPER; DISSOCIATION; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; FERMI LEVEL; HYDROGEN; METALS; PLATINUM;

EID: 0029512476     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)80007-0     Document Type: Article
Times cited : (1989)

References (51)
  • 34
    • 84914946143 scopus 로고    scopus 로고
    • 3Pt. For H on Al(110), for instance the lowest energy site is on top and the chemisorption energy is +0.1 eV [36] rather than +0.5 eV for the threehold site in Fig. 1A.
  • 48
    • 84914940088 scopus 로고    scopus 로고
    • 3Pt are filled, we find a filling of the d-projected density of states of 0.94, close to the value for the Pt surface of 0.92. For simplicity we therefore use a value of 0.9 (the “ideal” filling) for all Pt (and Ni) sites.
  • 50
    • 84914927357 scopus 로고    scopus 로고
    • z2 are quite similar. As η is independent of the metal, it serves to [[Truncated]]
  • 51
    • 84914914007 scopus 로고    scopus 로고
    • 2 on NiAl(110) we use the calculated value from Ref. [11] where the (b, Z) is (1.5 Å, 1.33 Å) including in Z the −0.14 Å relaxation of the surface Ni atom.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.