메뉴 건너뛰기




Volumn 107, Issue 21, 1997, Pages 9146-9156

H2S adsorption on chromium, chromia, and gold/chromia surfaces: Photoemission studies

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM; DISSOCIATION; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; FILMS; GOLD; HYDROGEN SULFIDE; LOW ENERGY ELECTRON DIFFRACTION; MOLECULES; OXIDES; PHOTOELECTRON SPECTROSCOPY; PLATINUM;

EID: 0031379522     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475319     Document Type: Article
Times cited : (44)

References (77)
  • 22
    • 0001170051 scopus 로고    scopus 로고
    • (b) J.A. Rodriguez, M. Kuhn, and J. Hrbek, J. Phys. Chem. 100, 3799 (1996); 100, 15 494 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 15494
  • 23
    • 0000425688 scopus 로고
    • Transition Metal Oxides: Surface Chemistry and Catalysis
    • Elsevier, New York
    • H.H. Kung. Transition Metal Oxides: Surface Chemistry and Catalysis, in Studies in Surface Science Catalysts, Vol. 45 (Elsevier, New York, 1989).
    • (1989) Studies in Surface Science Catalysts , vol.45
    • Kung, H.H.1
  • 26
    • 85033178737 scopus 로고    scopus 로고
    • unpublished
    • unpublished.
  • 28
    • 0002075827 scopus 로고
    • and references therein
    • D.R. Huntley, Surf. Sci. 240, 13 (1990), and references therein.
    • (1990) Surf. Sci. , vol.240 , pp. 13
    • Huntley, D.R.1
  • 44
    • 85033180050 scopus 로고    scopus 로고
    • note
    • 3/2 binding energy of 160.8 eV.
  • 46
    • 85033166244 scopus 로고    scopus 로고
    • note
    • (a) The MO calculations were carried out using the HONDO program (Ref. 35b). The nonempirical effective core potentials (ECP's) of Hay and Wadt (Ref. 35c) were used to describe the inner shells of Cr and Au. The ECP for Au included relativistic effects (Ref. 35c). The 1s shell of O was described through the ECP generated by Stevens, Basch, and Krauss (Ref. 35d). For sulfur and hydrogen, we included all their electrons in the calculations. The molecular orbitals were expanded using Gaussian-type orbitals. The atomic orbitals of S and H were expressed in terms of a double-zeta quality basis set augmented with polarization functions (Refs. 9,35b). A basis set obtained through a (3s2p5d/2s 1 p2d) contraction scheme (Ref. 35e) was used to describe the 4s, 4p, and 3d atomic orbitals of Cr. The 6s, 6p, and 5d atomic orbitals of Au were expressed in terms of a (3s3p4d/2s 1 p2d) basis set (Ref. 35f). Finally, the valence orbitals of O were treated using the basis set recommended by Stevens-Basch-Krauss (Ref. 35d);
  • 57
    • 0000401930 scopus 로고
    • and references therein
    • J.A. Rodriguez, Surf. Sci. 234, 421 (1990), and references therein.
    • (1990) Surf. Sci. , vol.234 , pp. 421
    • Rodriguez, J.A.1
  • 62
    • 85033171071 scopus 로고    scopus 로고
    • note
    • (a) The charges were calculated using a Mulliken population analysis (Ref. 45b). Due to the limitations of this type of analysis (Ref. 45c), they must not be considered in quantitative terms;


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.