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Volumn 107, Issue 6, 1997, Pages 1861-1871

Reactions of Ni38 with N2, H2, and CO: Cluster structure and adsorbate binding sites

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; CARBON MONOXIDE; CHEMICAL BONDS; CHEMICAL REACTIONS; ELECTRON ENERGY LEVELS; HYDROGEN; NICKEL; NITROGEN;

EID: 0031559544     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474536     Document Type: Article
Times cited : (76)

References (37)
  • 2
    • 0001264633 scopus 로고
    • (b) 102, 7377 (1995).
    • (1995) J. Chem. Phys. , vol.102 , pp. 7377
  • 7
    • 85033181180 scopus 로고    scopus 로고
    • note
    • see Ref. 1(a) for references to early work on nickel cluster structures.
  • 17
    • 85033182255 scopus 로고    scopus 로고
    • note
    • The reflectron TOF mass spectrometer was modeled with the program MacSimion.
  • 18
    • 85033166095 scopus 로고    scopus 로고
    • note
    • 2 molecule is not observed at any temperature studied.
  • 22
    • 85033177387 scopus 로고    scopus 로고
    • note
    • 2-cluster collisions in the nozzle expansion.
  • 24
    • 85033184246 scopus 로고    scopus 로고
    • note
    • Unpublished results from this laboratory.
  • 29
    • 85033182315 scopus 로고    scopus 로고
    • note
    • 38 coordinates obtained from Dr. Wetzel.
  • 30
    • 85033174364 scopus 로고    scopus 로고
    • note
    • An additional rule, not relevant in the present study, limits the apex atoms on icosahedral clusters to binding only two D (or H) atoms.
  • 32
    • 85033183029 scopus 로고    scopus 로고
    • note
    • As in Ref. 16, this coverage was determined by trial and error, putting an H atom in some possible site and attempting to pack additional atoms as tightly as possible around this site without breaking the binding rules. The procedure was then repeated beginning at other sites until a representative sample of possible configurations was explored. The highest coverage obtained is the one illustrated in VI. Rule (5), derived for icosahedral clusters, does not really apply here since relaxing it does not lead to higher coverage.
  • 37
    • 0001430870 scopus 로고
    • P. Uvdal, P. A. Karlsson, C. Nyberg, S. Andersson, and N. V. Richardsson, Surf. Sci. 202, 167 (1988); see also L. Pedocchi, G. Rovida, and N. Russo, Surf. Rev. and Lett. 2, 563 (1995).
    • (1995) Surf. Rev. and Lett. , vol.2 , pp. 563
    • Pedocchi, L.1    Rovida, G.2    Russo, N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.