Visible-light photocatalytic properties and electronic structure of Zr-based oxynitride, Zr2ON2, derived from nitridation of ZrO2

被引：61

作者：

Mishima, Takahiro ^{[1
]}

Matsuda, Motohide ^{[1
]}

Miyake, Michihiro ^{[1
]}

机构：

[1] Okayama Univ, Grad Sch Environm Sci, Dept Mat & Energy Sci, Okayama 7008530, Japan

来源：

APPLIED CATALYSIS A-GENERAL | 2007年 / 324卷

关键词：

photocatalyst; Zr2ON2; visible-light irradiation;

D O I：

10.1016/j.apcata.2007.03.017

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A new photocatalyst responsive to visible light was found in Zr-based oxynitrides derived from nitridation of ZrO2 in flowing NH3. Zr2ON2 with the bandgap of 2.6 eV functioned with irradiation of visible light, yielding H-2 and 02 by water reduction and oxidation in the presence of sacrificial reagents, respectively. The Zr2ON2 was stable during the photocatalytic reaction. Calculation of electronic structure for the Zr2ON2, based on plane-wave-based density functional theory (DFr), gave information that the main components of valence and conduction bands were the O 2p, N 2p and Zr 4d atomic orbitals, and no isolated band existed within the bandgap. In this paper, the visible-light photocatalytic properties of Zr2ON2 are discussed in terms of the electronic band structure calculated. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：77 / 82

页数：6

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