The Theoretical Study on the Bandgap Change in the Nitrogen-Doped Perovskite-Type Titanium Oxide of SrTiO3

被引：22

作者：

Onishi, T. ^{[1
,2
]}

机构：

[1] Mie Univ, Grad Sch Engn, Dept Chem Mat, Tsu, Mie 5148507, Japan

[2] Mie Univ, Ctr Ultimate Technol Nanoelect, Tsu, Mie 5148507, Japan

来源：

TOPICS IN CATALYSIS | 2010年 / 53卷 / 7-10期

关键词：

SrTiO3; Photocatalysis; Bandgap; Nitrogen-doping; Hybrid-DFT; VISIBLE-LIGHT IRRADIATION; TRANSITION-METAL ATOMS; SENSITIVE PHOTOCATALYST; MECHANOCHEMICAL METHOD; POWDERS; TIO2; BLUE;

D O I：

10.1007/s11244-010-9488-6

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

The nitrogen-doping in the perovskite-type titanium oxide of SrTiO3 has been performed to obtain the bandgap in the visible light region. In order to investigate the mechanism of the bandgap decrease, the molecular orbital calculations based on hybrid-DFT were performed for the nitrogen-doped cluster models. It was concluded that the pi-type Ti-N-Ti bond is responsible for the bandgap decrease.

引用

页码：566 / 570

页数：5

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