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Volumn 111, Issue 7, 1999, Pages 3237-3251

Chemisorption of acrylonitrile on the Cu(100) surface: A local density functional study

Author keywords

[No Author keywords available]

Indexed keywords


EID: 26444558165     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479604     Document Type: Article
Times cited : (40)

References (89)
  • 72
    • 85034489924 scopus 로고    scopus 로고
    • note
    • Cun(r)] has a significant value only in the region of chemisorption and the Fukui function of a cluster is already a good estimate of that of the metal for the region in interaction with AN; hence, this term should be of the same order of magnitude whatever the size of the cluster.
  • 88
    • 85034512213 scopus 로고    scopus 로고
    • note
    • 8(c) As a consequence, the edge atoms would be the preferential sites for chemisorption; however, since these edge atoms are not representative of metal surface atoms, we have not brought AN into an interaction with the edge atoms but rather with the central atoms, that have the same saturation as the actual metal surface atoms. The Fukui function of the cluster near these central atoms is expected to be closer to that of the actual Cu(100) surface.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.