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Volumn 70, Issue 11, 2004, Pages

Effect of a step defect on the adsorption of benzene on the (221) surface of nickel: An ab initio study

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; METAL DERIVATIVE; NICKEL; POLYMER;

EID: 13244290422     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.115401     Document Type: Article
Times cited : (22)

References (23)
  • 2
    • 1542295040 scopus 로고    scopus 로고
    • edited by P. Niblaba, M. Mareschal, and G. Ciccotti (Springer, Berlin)
    • C.F. Abrams, L. Delle Site, and K. Kremer, Lecture Notes in Physics, edited by P. Niblaba, M. Mareschal, and G. Ciccotti (Springer, Berlin, 2002), Vol. 605, p. 143.
    • (2002) Lecture Notes in Physics , vol.605 , pp. 143
    • Abrams, C.F.1    Delle Site, L.2    Kremer, K.3
  • 11
    • 9644270865 scopus 로고    scopus 로고
    • note
    • For this work we used the version-3.4.1 of the CPMD code, CPMD, J. Hutter, D. Marx, P. Focher, M. Tuckerman, W. Andreoni, A. Curioni, E. Fois, U. Roetlisberger, P. Giannozzi, T. Deutsch, A. Alavi, D. Sebastiani, A. Laio, J. VandeVondele, A. Seitsonen, S. Billeter, and M. Parrinello, Copyright MPI für Festkörperforschung and IBM Zurich Research Laboratory 1995-1999.
  • 14
    • 9644303711 scopus 로고
    • Ph.D. thesis, Cambridge University
    • M.H. Lee, Ph.D. thesis, Cambridge University, 1995.
    • (1995)
    • Lee, M.H.1
  • 20
    • 9644303712 scopus 로고    scopus 로고
    • note
    • We define a C-Ni bond as a C-Ni distance less than 2.14 Å, i.e., the average distance of a carbon-metal bond.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.