Band gap modification of ZnO and ZnS through solid solution formation for applications in photocatalysis

Judy N. Hart*, Michele Cutini, Neil L. Allan

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

13 Citations (Scopus)

Abstract

ZnO and ZnS are both good photocatalysts, but their band gaps are too wide for efficient use under sunlight. In this work, solid solutions formed by the addition of a small amount of AlN or GaN to ZnO and AlP or GaP to ZnS are studied with first-principles calculations. Energies of mixing are low in all cases and addition of a small amount of solute can significantly reduce the band gap. Results for the different solid solutions are compared.

Original languageEnglish
Pages (from-to)32-36
Number of pages5
JournalEnergy Procedia
Volume60
Issue numberC
DOIs
Publication statusPublished - 1 Jan 2014

Keywords

  • Band gap modification
  • Photcatalysts
  • Solid solutions
  • ZnO
  • ZnS

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