Experimental and theoretical surface core level shift study of the S-Rh(100) local environment (Articolo in rivista)

Type
Label
  • Experimental and theoretical surface core level shift study of the S-Rh(100) local environment (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Bianchettin, L; Baraldi, A; Vesselli, E; de Gironcoli, S; Lizzit, S; Petaccia, L; Comelli, G; Rosei, R (2007)
    Experimental and theoretical surface core level shift study of the S-Rh(100) local environment
    in Journal of physical chemistry. C
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Bianchettin, L; Baraldi, A; Vesselli, E; de Gironcoli, S; Lizzit, S; Petaccia, L; Comelli, G; Rosei, R (literal)
Pagina inizio
  • 4003 (literal)
Pagina fine
  • 4013 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 111 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Trieste, Dept Phys, I-34127 Trieste, Italy; Univ Trieste, Ctr Excellence Nanostruct Mat, I-34127 Trieste, Italy; CNR, Lab TASC, INFM, I-34012 Trieste, Italy; Scuola Int Super Studi Avanzati, I-34014 Trieste, Italy; CNR, INFM, DEMOCRITOS Natl Simulat Ctr, I-34014 Trieste, Italy; Sincrotrone Trieste, I-34012 Trieste, Italy (literal)
Titolo
  • Experimental and theoretical surface core level shift study of the S-Rh(100) local environment (literal)
Abstract
  • The local changes of the Rh(100) electronic structure induced by sulfur adsorption at different coverage have been investigated by combining high-energy resolution core level photoemission spectroscopy, low-energy electron diffraction, Monte Carlo simulations, and ab initio calculations. Our results show that upon adsorption the local density of states does not change appreciably beyond the next neighbors, thus supporting the conclusion that the well-known catalyst's sulfur poisoning effect cannot be related to electronic structure long-range modifications. We also find that the sulfur-induced Rh 3d(5/2) component originated by the second layer Rh, atoms below the sulfur adsorbate shifts by as much as -235 meV with respect to deeper layer contributions. This result points out the importance of considering the contribution of subsurface atoms in the overall 3d(5/2) core-level line shape of transition metal surfaces. Ab initio calculations allow a detailed quantitative understanding of the measured core level shifts. Possible mechanisms that explain the observed core level shifts are discussed. (literal)
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