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Enhanced photocatalytic activity of α-Bi2O3 with high electron-hole mobility by codoping approach: A first-principles study

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成果类型:
期刊论文、会议论文
作者:
Li, Yujie;Yang, Fan*;Yu, Ying
通讯作者:
Yang, Fan
作者机构:
[Yu, Ying; Li, Yujie] Cent China Normal Univ, Coll Phys Sci & Technol, Inst Nanosci & Nanotechnol, Wuhan 430079, Peoples R China.
[Yang, Fan] Wuhan Text Univ, Inst Elect & Elect Engn, Wuhan 430200, Peoples R China.
通讯机构:
[Yang, Fan] W
Wuhan Text Univ, Inst Elect & Elect Engn, Wuhan 430200, Peoples R China.
语种:
英文
关键词:
Bi2O3;Codoping;Electronic structure;DFT calculation
期刊:
Applied Surface Science
ISSN:
0169-4332
年:
2015
卷:
358
页码:
449-456
会议名称:
1st International Workshop on Graphene and C3N4-based Photocatalysts (IWGCP)
会议时间:
JUN 05-08, 2015
会议地点:
Wuhan Univ Technology, Wuhan, PEOPLES R CHINA
会议主办单位:
Wuhan Univ Technology
会议赞助商:
Jianghan Univ, Changsha Univ
出版地:
PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
出版者:
ELSEVIER SCIENCE BV
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21377044, 11304234]; Key Project of Natural Science Foundation of Hubei ProvinceNatural Science Foundation of Hubei Province [2015CFA037]; Wuhan Planning Project of Science and Technology [2014010101010023]; CCNU from the colleges' basic research and operation of MOEMinistry of Education, Singapore [CCNU15ZD007, CCNU15KFY005]
机构署名:
本校为第一机构
院系归属:
物理科学与技术学院
摘要:
To improve the photocatalytic activity of narrow-gap material Bi2O3, efforts need be made to lower the electron-hole recombination rate and widen the response range of visible light. Understanding the related mechanism is vital, which may lead to high electron-hole mobility and suitable band edge. In this paper we have studied the atomic and electronic structure of single metallic atom (Ag, Cu, Pb, Pd, Sn)-doped and nitrogen (N)-metal codoped Bi2O3 with αphase by first principles calculations. The calculation results firstly show that new impurity states appeared in band gap of α-B...

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