Electronic structure of SnO and SnO2 layers on Rh(111)

The electronic structures of SnO, Sn2O3 and SnO2 layers adsorbed on the Rh(111) surface have been calculated by DFT. A drastic difference between densities of states of SnO and SnO2 in the energy range that corresponds to O 2s and Sn 4d states can be used for an unambiguous determination of the degr...

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Bibliographic Details
Published in:Surface science 2013-07, Vol.613, p.48-53
Main Authors: Yakovkin, I.N., Petrova, N.V.
Format: Article
Language:English
Subjects:
Adsorbed layers
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science
rheology
Density functional calculations
Density of states
Electronic structure
Energy use
Exact sciences and technology
Mathematical analysis
Photoemission
Physics
Rh surface
SnO
SnO2
Spectra
Tin
Tin dioxide
Tin oxides
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Summary:The electronic structures of SnO, Sn2O3 and SnO2 layers adsorbed on the Rh(111) surface have been calculated by DFT. A drastic difference between densities of states of SnO and SnO2 in the energy range that corresponds to O 2s and Sn 4d states can be used for an unambiguous determination of the degree of the tin oxidation. In particular, the complex structure of the Sn 4d peak in photoemission spectra ultimately indicates the formation of SnO2 rather than SnO species in adsorbed layers. •The DOS of SnOx/Rh(111) has been calculated by DFT.•The complex Sn 4d peak structure indicates the formation of SnO2 rather than SnO.•A new interpretation of photoelectron spectra for adsorbed SnOx layers is suggested.
ISSN:0039-6028
1879-2758
DOI:10.1016/j.susc.2013.03.003