New insights into assessing the favorable co-doping dopants with various co-doped cases for the band gap engineering of SrTiO3

ISL OpenIR > 青海盐湖研究所知识仓储

	New insights into assessing the favorable co-doping dopants with various co-doped cases for the band gap engineering of SrTiO3
	Zhang, Chao 1,2; Jia, Yongzhong1 ; Jing, Yan1 ; Yao, Ying1
	2015-01-12
发表期刊	INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
卷号	40 期号:2 页码:1343-1351
关键词	Evaluation Method Donor Acceptor Co-doping Hole-hole Co-doping Srtio3
摘要	Density functional calculations have been performed systematically on the electronic structure, the defect formation energy, the crystal structure change and the relative binding energies for the co-doped system of SrTiO3. The La-N, Ta-N and N-N co-doped systems are chosen to simulation the A-O, B-O and O1-O2 three basic selection doping sites for donor acceptor pairs co-doping and hole hole mediated coupling co-doping cases in SrTiO3. An evaluation method with three basic rules for assessing the favorable co-doped dopants for SrTiO3 has been proposed and the favorable co-doping dopant with which is easy to prepare, with high structural stability and high photocatalytic activity among the different types of co-doping on SrTiO3 can be obtained. Our results offer a new path for assessing the favorable co-doping dopants for the band gap engineering of wide band gap semiconductors with different co-doping cases for hydrogen generation. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
语种	英语
引用统计
文献类型	期刊论文
条目标识符	http://ir.isl.ac.cn/handle/363002/5738
专题	青海盐湖研究所知识仓储盐湖资源综合利用工程技术中心
作者单位	1.Chinese Acad Sci, Qinghai Inst Salt Lakes, Xining 810008, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Chao,Jia, Yongzhong,Jing, Yan,et al. New insights into assessing the favorable co-doping dopants with various co-doped cases for the band gap engineering of SrTiO3[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,2015,40(2):1343-1351.
APA	Zhang, Chao,Jia, Yongzhong,Jing, Yan,&Yao, Ying.(2015).New insights into assessing the favorable co-doping dopants with various co-doped cases for the band gap engineering of SrTiO3.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,40(2),1343-1351.
MLA	Zhang, Chao,et al."New insights into assessing the favorable co-doping dopants with various co-doped cases for the band gap engineering of SrTiO3".INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 40.2(2015):1343-1351.