Dipole-Induced Band-Gap Reduction in an Inorganic Cage

Yaokang Lv, Jun Cheng (Corresponding Author), Alexander Steiner, Lihua Gan, Dominic S Wright (Corresponding Author)

Research output: Contribution to journalArticle

48 Citations (Scopus)

Abstract

Metal-doped polyoxotitanium cages are a developing class of inorganic compounds which can be regarded as nano- and sub-nano sized molecular relatives of metal-doped titania nanoparticles. These species can serve as models for the ways in which dopant metal ions can be incorporated into metal-doped titania (TiO2), a technologically important class of photocatalytic materials with broad applications in devices and pollution control. In this study a series of cobalt(II)-containing cages in the size range ca. 0.7–1.3 nm have been synthesized and structurally characterized, allowing a coherent study of the factors affecting the band gaps in well-defined metal-doped model systems. Band structure calculations are consistent with experimental UV/Vis measurements of the TixOy absorption edges in these species and reveal that molecular dipole moment can have a profound effect on the band gap. The observation of a dipole-induced band-gap decrease mechanism provides a potentially general design strategy for the formation of low band-gap inorganic cages.
Original languageEnglish
Pages (from-to)1965-1969
Number of pages4
JournalAngewandte Chemie International Edition
Volume126
Issue number7
Early online date21 Jan 2014
DOIs
Publication statusPublished - 10 Feb 2014

Fingerprint

Energy gap
Metals
Titanium
Inorganic compounds
Pollution control
Dipole moment
Cobalt
Band structure
Metal ions
Doping (additives)
Nanoparticles
titanium dioxide

Keywords

  • Bandlücken
  • Cobalt
  • Polyoxometallate
  • Strukturaufklärung
  • Titan

Cite this

Lv, Y., Cheng, J., Steiner, A., Gan, L., & Wright, D. S. (2014). Dipole-Induced Band-Gap Reduction in an Inorganic Cage. Angewandte Chemie International Edition, 126(7), 1965-1969. https://doi.org/10.1002/ange.201307721

Dipole-Induced Band-Gap Reduction in an Inorganic Cage. / Lv, Yaokang; Cheng, Jun (Corresponding Author); Steiner, Alexander; Gan, Lihua; Wright, Dominic S (Corresponding Author).

In: Angewandte Chemie International Edition, Vol. 126, No. 7, 10.02.2014, p. 1965-1969.

Research output: Contribution to journalArticle

Lv, Y, Cheng, J, Steiner, A, Gan, L & Wright, DS 2014, 'Dipole-Induced Band-Gap Reduction in an Inorganic Cage', Angewandte Chemie International Edition, vol. 126, no. 7, pp. 1965-1969. https://doi.org/10.1002/ange.201307721
Lv, Yaokang ; Cheng, Jun ; Steiner, Alexander ; Gan, Lihua ; Wright, Dominic S. / Dipole-Induced Band-Gap Reduction in an Inorganic Cage. In: Angewandte Chemie International Edition. 2014 ; Vol. 126, No. 7. pp. 1965-1969.
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