TY - JOUR
T1 - Lattice-work structure of a TiO2(0 0 1) surface studied by STM, core-level spectroscopies and DFT calculations
AU - Ariga, H.
AU - Taniike, T.
AU - Morikawa, H.
AU - Tero, R.
AU - Kondoh, H.
AU - Iwasawa, Y.
PY - 2008/3/20
Y1 - 2008/3/20
N2 - The lattice-work structure of a rutile TiO2(0 0 1) surface, which is faceted to {1 1 4} plane, was studied by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) and density functional theory (DFT) calculations. Synchrotron XPS and NEXAFS spectra taken for the faceted surface indicated that this surface possesses a stoichiometric composition. We propose a new stoichiometric structure model on the basis of XPS, NEXAFS, and atomically-resolved STM observations. DFT calculations revealed that the present stoichiometric model is energetically more favorable compared to the previously proposed models.
AB - The lattice-work structure of a rutile TiO2(0 0 1) surface, which is faceted to {1 1 4} plane, was studied by combining scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), near-edge X-ray absorption fine structure (NEXAFS) and density functional theory (DFT) calculations. Synchrotron XPS and NEXAFS spectra taken for the faceted surface indicated that this surface possesses a stoichiometric composition. We propose a new stoichiometric structure model on the basis of XPS, NEXAFS, and atomically-resolved STM observations. DFT calculations revealed that the present stoichiometric model is energetically more favorable compared to the previously proposed models.
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U2 - 10.1016/j.cplett.2008.01.086
DO - 10.1016/j.cplett.2008.01.086
M3 - Article
AN - SCOPUS:40849099823
SN - 0009-2614
VL - 454
SP - 350
EP - 354
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 4-6
ER -