Issue 20, 2015
From the journal:

Journal of Materials Chemistry A

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

Peng Li,a   Naoto Umezawa,*abc   Hideki Abe*abc  and  Jinhua Yeacd  

* Corresponding authors

a Catalytic Materials Group, Environmental Remediation Materials Unit, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
E-mail: UMEZAWA.Naoto@nims.go.jp, ABE.Hideki@nims.go.jp

b PRESTO, Japan Science and Technology Agency (JST), 4-1-8 Honcho Kawaguchi, Saitama 332-0012, Japan

c TU-NIMS Joint Research Center, School of Materials Science and Engineering, Tianjin University, 92 Weijin Road, Nankai District, Tianjin, P. R. China

d International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan

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

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Article information

DOI
https://doi.org/10.1039/C5TA01416F
Article type
Communication
Submitted
23 Feb 2015
Accepted
16 Apr 2015
First published
16 Apr 2015

J. Mater. Chem. A, 2015,3, 10720-10723

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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

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