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Volumn 122, Issue 17, 2005, Pages

Adsorption of carbon on Pd clusters of nanometer size: A first-principles theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; DENSITY FUNCTIONAL METHOD; ELECTROSTATIC REPULSION; NANOCLUSTERS;

EID: 18744363415     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1888385     Document Type: Article
Times cited : (34)

References (45)
  • 14
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    • (2004)
    • Belling, Th.1    Grauschopf, Th.2    Krüger, S.3
  • 19
    • 4243946203 scopus 로고
    • 0163-1829 10.1103/PhysRevB.33.8622
    • J. P. Perdew, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.8622 33, 8622 (1986); J. P. Perdew, Phys. Rev. B 34, 7406 (1986).
    • (1986) Phys. Rev. B , vol.33 , pp. 8622
    • Perdew, J.P.1
  • 20
    • 4043083704 scopus 로고
    • J. P. Perdew, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.8622 33, 8622 (1986); J. P. Perdew, Phys. Rev. B 34, 7406 (1986).
    • (1986) Phys. Rev. B , vol.34 , pp. 7406
    • Perdew, J.P.1
  • 26
    • 84893106505 scopus 로고    scopus 로고
    • 77th ed., edited by D. R.Lide (CRC, Boca Raton
    • CRC Handbook of Chemistry and Physics, 77th ed., edited by, D. R. Lide, (CRC, Boca Raton, 1996), Chap., p. 18.
    • (1996) CRC Handbook of Chemistry and Physics , pp. 18
  • 28
    • 84856128830 scopus 로고    scopus 로고
    • Technische Universität München
    • F. Nörtemann, PhD dissertation, Technische Universität München, 1998.
    • (1998)
    • Nörtemann, F.1
  • 35
    • 0003631340 scopus 로고
    • NATO ASI Series B Vol. G.Pacchioni, P. S.Bagus, and F.Parmigiani (Plenum, New York
    • Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B Vol. 283, edited by, G. Pacchioni, P. S. Bagus, and, F. Parmigiani, (Plenum, New York, 1992).
    • (1992) Cluster Models for Surface and Bulk Phenomena , vol.283
  • 39
    • 84856123874 scopus 로고    scopus 로고
    • K. H. Lim and N. Rösch (unpublished). Single-point VASP calculations of C atoms on the threefold hollow fcc and hcp sites of a four-layer Pd(111) slab at r (Pd-C) =185.5 pm with all substrate atoms kept at experimental truncated-bulk geometry positions, determined by the nearest-neighbor Pd-Pd distance of 275 pm. For computational details, see Ref..
    • Lim, K.H.1    Rösch, N.2
  • 40
    • 18744400156 scopus 로고    scopus 로고
    • Single-point VASP calculations of C atoms on the threefold hollow fcc and hcp sites of a four-layer Pd(111) slab at r (Pd-C) =185.5 pm with all substrate atoms kept at experimental truncated-bulk geometry positions, determined by the nearest-neighbor Pd-Pd distance of 275 pm. For computational details, see Ref. 39.
    • K. H. Lim and N. Rösch (unpublished). Single-point VASP calculations of C atoms on the threefold hollow fcc and hcp sites of a four-layer Pd(111) slab at r (Pd-C) =185.5 pm with all substrate atoms kept at experimental truncated-bulk geometry positions, determined by the nearest-neighbor Pd-Pd distance of 275 pm. For computational details, see Ref..


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.