N- and Mo-doping Bi2WO6 in photocatalytic water splitting

被引：44

作者：

Lai, Kangrong ^{[1
,2
]}

Zhu, Yingtao ^{[1
]}

Lu, Jibao ^{[1
]}

Dai, Ying ^{[1
]}

Huang, Baibiao ^{[1
]}

机构：

[1] Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Peoples R China

[2] Changji Univ, Dept Phys, Changji 831100, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2013年 / 67卷

基金：

中国国家自然科学基金;

关键词：

Photocatalytic water splitting; First-principles; N/Mo codoped Bi2WO6; VISIBLE-LIGHT IRRADIATION; HYDROGEN-PRODUCTION; SEMICONDUCTOR PHOTOCATALYST; NANOSIZED BI2WO6; SOLID-SOLUTIONS; RHODAMINE-B; ENERGY; MICROSPHERES; DEGRADATION;

D O I：

10.1016/j.commatsci.2012.08.024

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

To understand the photocatalytic activity of Bi2WO6 for water splitting, the electronic structures of N- and Mo-monodoped and N/Mo-codoped Bi2WO6 are investigated based on first-principles calculations. Our results indicate that the band gap of N/Mo-codoped Bi2WO6 reduces by 0.19 eV and the smaller driving force is required for the water-splitting oxidation process. The calculated binding energy of the defect pairs shows that N/Mo-codoping in Bi2WO6 is more feasible than mono-doping, indicating N/Mo-codoped Bi2WO6 is a potential candidate for the photocatalytic water splitting. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：88 / 92

页数：5

共 51 条

[1]

Alenzi N., 2010, INT J APPL CATAL B, V101, P68

[2] Visible-light photocatalysis in nitrogen-doped titanium oxides [J].

Asahi, R ;

Morikawa, T ;

Ohwaki, T ;

Aoki, K ;

Taga, Y .

SCIENCE, 2001, 293 (5528) :269-271

[3] Photocatalytic behaviour of Bi2MO6 polymetalates for rhodamine B degradation [J].

Belver, C. ;

Adan, C. ;

Fernandez-Garcia, M. .

CATALYSIS TODAY, 2009, 143 (3-4) :274-281

[4] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[5] Hydrogen production by biomass gasification in supercritical water using concentrated solar energy: System development and proof of concept [J].

Chen, Jingwei ;

Lu, Youjun ;

Guo, Liejin ;

Zhang, Ximin ;

Xiao, Peng .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2010, 35 (13) :7134-7141

[6] One-Pot Miniemulsion-Mediated Route to BiOBr Hollow Microspheres with Highly Efficient Photocatalytic Activity [J].

Cheng, Hefeng ;

Huang, Baibiao ;

Wang, Zeyan ;

Qin, Xiaoyan ;

Zhang, Xiaoyang ;

Dai, Ying .

CHEMISTRY-A EUROPEAN JOURNAL, 2011, 17 (29) :8039-8043

[7] Facile Template-Free Synthesis of Bi2O2CO3 Hierarchical Microflowers and Their Associated Photocatalytic Activity [J].

Cheng, Hefeng ;

Huang, Baibiao ;

Yang, Kesong ;

Wang, Zeyan ;

Qin, Xiaoyan ;

Zhang, Xiaoyang ;

Dai, Ying .

CHEMPHYSCHEM, 2010, 11 (10) :2167-2173

[8] Physically and chemically synthesized TiO2 composite thin films for hydrogen production by photocatalytic water splitting [J].

Dholam, R. ;

Patel, N. ;

Adami, M. ;

Miotello, A. .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2008, 33 (23) :6896-6903

[9] Hydrogen evolution by water splitting using novel composite zeolite-based photocatalyst [J].

Dubey, Nidhi ;

Labhsetwar, Nitin K. ;

Devotta, Sukumar ;

Rayalu, Sadhana S. .

CATALYSIS TODAY, 2007, 129 (3-4) :428-434

[10] Visible-light-induced degradation of rhodamine B by nanosized Bi2WO6 [J].

Fu, HB ;

Pan, CS ;

Yao, WQ ;

Zhu, YF .

JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (47) :22432-22439

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