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Volumn 108, Issue 18, 1998, Pages 7816-7820

The steric effect in a full dimensional quantum dynamics simulation for the dissociative adsorption of H2 on Cu(111)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; COPPER; DISSOCIATION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; PROBABILITY; QUANTUM THEORY; REACTION KINETICS; SURFACES;

EID: 0032496009     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476217     Document Type: Article
Times cited : (76)

References (20)
  • 9
    • 0028542011 scopus 로고
    • J. Dai, J. Sheng, and J. Z. H. Zhang, J. Chem. Phys. 101, 1555 (1994); Surf. Sci. 319, 193 (1994).
    • (1994) Surf. Sci. , vol.319 , pp. 193
  • 18
    • 3342969904 scopus 로고
    • B. Hammer, M. Scheffler, K. Jacobsen, and J. K. Norskov, Phys. Rev. Lett. 73, 1400 (1994). In Fig. 1 of this reference, the barrier height of the given potential energy surface is 0.73 (eV). However the convergency test in its Table I showed that the barrier height of the semi-infinite crystal surface is 0.5 (eV) about 0.23 (eV) lower than the potential energy surface.
    • (1994) Phys. Rev. Lett. , vol.73 , pp. 1400
    • Hammer, B.1    Scheffler, M.2    Jacobsen, K.3    Norskov, J.K.4
  • 20
    • 0343733987 scopus 로고
    • D. Wetzig, R. Dopheide, M. Rutkowski, R. David, and H. Zacharias, Phys. Rev. Lett. 76, 463 (1996); A. Gross, S. Wilke, and M. Scheffler, ibid. 75, 2718 (1995).
    • (1995) Phys. Rev. Lett. , vol.75 , pp. 2718
    • Gross, A.1    Wilke, S.2    Scheffler, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.