Synthesis, crystal structure, and photocatalytical properties of Ba3Ta5O14N

被引：10

作者：

Anke, B. ^{[1
]}

Bredow, T. ^{[2
]}

Soldat, J. ^{[3
,4
]}

Wark, M. ^{[4
]}

Lerch, M. ^{[1
]}

机构：

[1] Tech Univ Berlin, Inst Chem, Str 17 Juni 135, D-10623 Berlin, Germany

[2] Univ Bonn, Inst Phys & Theoret Chem, Mulliken Ctr Theoret Chem, Beringstr 4, D-53115 Bonn, Germany

[3] Ruhr Univ Bochum, Lehrstuhl Tech Chem, Univ Str 150, D-44801 Bochum, Germany

[4] Carl von Ossietzky Univ Oldenburg, Inst Chem, Carl von Ossietzky Str 9-11, D-26129 Oldenburg, Germany

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2016年 / 233卷

关键词：

Barium tantalum oxide; Oxide nitrides; Synthesis; Crystal structure; Quantum-chemical calculations; Photocatalysis; VISIBLE-LIGHT; DOPED TIO2; NANOCRYSTALLINE TIO2; ELECTRONIC-STRUCTURE; TITANIUM-DIOXIDE; OXIDE; DEGRADATION; FABRICATION; PHOTOANODE; SPHERES;

D O I：

10.1016/j.jssc.2015.10.042

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Light yellow (Ba3Ta5O14N)-O-V was successfully synthesized as phase-pure material crystallizing isostructurally to well-known mixed-valence (Ba3Ta4TaO15)-Ta-V-O-IV. The electronic structure of Ba3Ta5O14N was studied theoretically with a hybrid Hartree-Fock-DFT method. The most stable structure was obtained when nitrogen atoms were placed at 4 h sites having fourfold coordination. By incorporating nitrogen, the band gap decreases from similar to 3.8 eV commonly known for barium tantalum(V) oxides to 2.8 eV for the oxide nitride, giving rise to an absorption band well in the visible-light region. Ba3Ta5O14N was also tested for photocatalytic hydrogen formation. (C) 2015 Elsevier Inc. All rights reserved.

引用

页码：282 / 288

页数：7

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