Band gap narrowing of titanium oxide semiconductors by noncompensated anion-Cation codoping for enhanced visible-Light photoactivity

Wenguang Zhu, Xiaofeng Qiu, Violeta Iancu, Xing Qiu Chen, Hui Pan, Wei Wang, Nada M. Dimitrijevic, Tijana Rajh, Harry M. Meyer, M. Parans Paranthaman, G. M. Stocks, Hanno H. Weitering, Baohua Gu, Gyula Eres, Zhenyu Zhang

Research output: Contribution to journalArticlepeer-review

347 Scopus citations

Abstract

"Noncompensated n-p codoping" is established as an enabling concept for enhancing the visible-light photoactivity of TiO2 by narrowing its band gap. The concept embodies two crucial ingredients: The electrostatic attraction within the n-p dopant pair enhances both the thermodynamic and kinetic solubilities, and the noncompensated nature ensures the creation of tunable intermediate bands that effectively narrow the band gap. The concept is demonstrated using first-principles calculations, and is validated by direct measurements of band gap narrowing using scanning tunneling spectroscopy, dramatically redshifted optical absorbance, and enhanced photoactivity manifested by efficient electron-hole separation in the visible-light region. This concept is broadly applicable to the synthesis of other advanced functional materials that demand optimal dopant control.

Original languageEnglish (US)
Article number226401
JournalPhysical Review Letters
Volume103
Issue number22
DOIs
StatePublished - Nov 23 2009
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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