Jump to main content
Jump to site search

Issue 20, 2015
Previous Article Next Article

Novel visible-light sensitive vanadate photocatalysts for water oxidation: implications from density functional theory calculations

Author affiliations

Abstract

Two vanadates, Ag2Sr(VO3)4 and Sr(VO3)2, have been studied as visible-light-driven water oxidation photocatalysts with the help of density-functional theory calculations. Our computational results for the density of states and partial charge densities implied that Ag2Sr(VO3)4 and Sr(VO3)2 possess desirable electronic structures for the water oxidation reaction, i.e., the valence band (VB) maximum of Ag2Sr(VO3)4 consists of multiple orbitals of Ag d and O p, while Sr(VO3)2 has a broad VB associated with oxygen non-bonding states. We have experimentally demonstrated that these vanadates efficiently oxidize water to O2 under irradiation of visible light in the presence of the sacrificial agent.

Graphical abstract: Novel visible-light sensitive vanadate photocatalysts for water oxidation: implications from density functional theory calculations

Back to tab navigation

Supplementary files

Publication details

The article was received on 23 Feb 2015, accepted on 16 Apr 2015 and first published on 16 Apr 2015


Article type: Communication
DOI: 10.1039/C5TA01416F
Author version
available:
Download author version (PDF)
Citation: J. Mater. Chem. A, 2015,3, 10720-10723
  •   Request permissions

    Novel visible-light sensitive vanadate photocatalysts for water oxidation: implications from density functional theory calculations

    P. Li, N. Umezawa, H. Abe and J. Ye, J. Mater. Chem. A, 2015, 3, 10720
    DOI: 10.1039/C5TA01416F

Search articles by author

Spotlight

Advertisements