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Volumn 106, Issue 38, 2002, Pages 9839-9846

The interaction of ethylene with perfect and defective Ag(001) surfaces

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; PROBABILITY DENSITY FUNCTION; SILVER;

EID: 0037179801     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp025823k     Document Type: Article
Times cited : (44)

References (88)
  • 1
    • 0000264507 scopus 로고    scopus 로고
    • Epoxidation catalysis using heterogeneous catalysts
    • Ertl, G., Knözinger, H., Weitkamp, J., Eds.; Wiley-VCH: Weinheim, Chapter 4
    • van Santen, R.A. Epoxidation Catalysis Using Heterogeneous Catalysts. In Handbook of Heterogeneous Catalysis, Vol. 5; Ertl, G., Knözinger, H., Weitkamp, J., Eds.; Wiley-VCH: Weinheim, 1997; Chapter 4, pp 2244-2252.
    • (1997) Handbook of Heterogeneous Catalysis , vol.5 , pp. 2244-2252
    • Van Santen, R.A.1
  • 48
    • 0011778818 scopus 로고    scopus 로고
    • note
    • xz.
  • 50
    • 0011744070 scopus 로고    scopus 로고
    • note
    • 63.
  • 54
    • 0011775175 scopus 로고    scopus 로고
    • note
    • 2. This is the so-called Löwdin population analysis.
  • 55
    • 0011751166 scopus 로고    scopus 로고
    • note
    • ν,k) dε. The symbols used in these equations are the same as in ref 86.
  • 57
    • 0011751167 scopus 로고    scopus 로고
    • 87,88 WEB page is: http://www-k3.ijs.si/kokalj/xc/XCrySDen.html.
  • 81
    • 0002946138 scopus 로고
    • Chemisorption and catalysis
    • John Wiley & Sons: New York, Chapter 17
    • Adamson, A.W. Chemisorption and Catalysis. In Physical Chemistry of Surfaces, 5th ed.; John Wiley & Sons: New York, 1990; Chapter 17, pp 690-692.
    • (1990) Physical Chemistry of Surfaces, 5th ed. , pp. 690-692
    • Adamson, A.W.1
  • 83
    • 0011774189 scopus 로고    scopus 로고
    • note
    • The isolated subsystems were simulated with a supercell where a molecule was placed in the center of a vacuum region of about 12 separating two adjacent metallic slabs.
  • 84
    • 0011742061 scopus 로고    scopus 로고
    • note
    • dπ*(ε) dε, is shifted to lower energies upon adsorption: -0.07 eV, -0.42 eV, and -0.73 eV for the perfect surface, monatomic step, and adatom defect, respectively.
  • 85
    • 0011774190 scopus 로고    scopus 로고
    • note
    • The population of π* states below the Fermi energy upon adsorption is 0.05 e, 0.10 e, and 0.15 e for the perfect surface, monatomic step, and adatom defect, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.