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Volumn 1, Issue 16, 1999, Pages 3793-3799

Electronic structure of Nb impurities in and on TiO2

Author keywords

[No Author keywords available]

Indexed keywords

NIOBIUM; TITANIUM DIOXIDE;

EID: 0033566671     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a902657f     Document Type: Article
Times cited : (23)

References (53)
  • 2
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    • 2 A. Zunger, in Solid State Physics, ed. H. Ehrenreich and D. Turnbull, Academic Press, New York, 1986, vol. 39.
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    • Zunger, A.1
  • 30
    • 0038023343 scopus 로고
    • 28 E. J. Baerends, D. E. Ellis and P. Ros, Chem. Phys., 1973, 2, 41; G. te Velde and E. J. Baerends, J. Comp. Phys., 1992, 99, 84; C. Fonseca Guerra, O. Visser, J. G. Snijders and E. J. Baerends, in Methods and Techniques in Computational Chemistry, ed. E. Clementi and G. Corongiu, STEF: Cagliari, 1995, ch. 8, p. 305.
    • (1973) Chem. Phys. , vol.2 , pp. 41
    • Baerends, E.J.1    Ellis, D.E.2    Ros, P.3
  • 31
    • 28144440701 scopus 로고
    • 28 E. J. Baerends, D. E. Ellis and P. Ros, Chem. Phys., 1973, 2, 41; G. te Velde and E. J. Baerends, J. Comp. Phys., 1992, 99, 84; C. Fonseca Guerra, O. Visser, J. G. Snijders and E. J. Baerends, in Methods and Techniques in Computational Chemistry, ed. E. Clementi and G. Corongiu, STEF: Cagliari, 1995, ch. 8, p. 305.
    • (1992) J. Comp. Phys. , vol.99 , pp. 84
    • Te Velde, G.1    Baerends, E.J.2
  • 36
    • 0009629232 scopus 로고    scopus 로고
    • private communication
    • 32 D. R. Jennison, private communication.
    • Jennison, D.R.1
  • 41
    • 0009579557 scopus 로고    scopus 로고
    • showed that increasing the thickness of a slab model from three to five layers yields a widening of the band gap from 1.5 to 1.9 eV [ref. 36]
    • 37 Ramamoorthy et al. showed that increasing the thickness of a slab model from three to five layers yields a widening of the band gap from 1.5 to 1.9 eV [ref. 36].
    • Ramamoorthy1
  • 43
    • 0009638274 scopus 로고
    • ed. D. A. Shirley, North Holland, Amsterdam
    • 39 U. Gelius, in Electron Spectroscopy ed. D. A. Shirley, North Holland, Amsterdam, 1972, p. 311.
    • (1972) Electron Spectroscopy , pp. 311
    • Gelius, U.1
  • 52
    • 0009579559 scopus 로고    scopus 로고
    • note
    • 2 surfaces is exothermic, and removes the Nb d states from the surface band gap. In addition, new states, corresponding to the superoxide p electrons, are introduced in the valence band, consistently with Chambers photoemission and electron energy loss spectroscopy results [ref. 10].


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