An investigation of Na-related defects in Cu2ZnSnSe4

doi:10.1039/c7cp02192e

HFCAS OpenIR > 中科院固体物理研究所

	An investigation of Na-related defects in Cu2ZnSnSe4
	Han, Miaomiao 1,2; Zhang, Xiaoli1 ; Zeng, Zhi1,2
	2017-07-21
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
摘要	Using hybrid density functional theory, here, we have investigated the electronic, defect and migration properties of Na-related defects in the earth-abundant solar cell absorber material Cu2ZnSnSe4 (CZTSe). We find that among all the Na-related defects, Na-Zn acts the same way as V-Cu and Cu-Zn; it is an acceptor and contributes to the p-type conductivity. Na-Sn is a deep level defect, but it is energetically unfavorable and can be suppressed by the growth conditions. Besides, through migration energy analysis, we prove that Na can easily move in CZTSe through interstitial Na and Cu vacancy mediated mechanisms.
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1039/c7cp02192e
关键词[WOS]	FILM SOLAR-CELLS ; ELECTRONIC-PROPERTIES ; EFFICIENCY ; POINTS ; METALS
收录类别	SCI
语种	英语
项目资助者	special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; NSFC(11204310 ; NSFC(11204310 ; NSFC(11204310 ; NSFC(11204310 ; NSFC(11204310 ; NSFC(11204310 ; NSFC(11204310 ; NSFC(11204310 ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; Tianhe-2JK computing time award at the Beijing Computational Science Research Center (CSRC) ; 11534012) ; 11534012) ; 11534012) ; 11534012) ; 11534012) ; 11534012) ; 11534012) ; 11534012)
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000405424100032
引用统计	被引频次：20[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/33525
专题	中科院固体物理研究所
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Peoples R China
推荐引用方式 GB/T 7714	Han, Miaomiao,Zhang, Xiaoli,Zeng, Zhi. An investigation of Na-related defects in Cu2ZnSnSe4[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(27):17799-17804.
APA	Han, Miaomiao,Zhang, Xiaoli,&Zeng, Zhi.(2017).An investigation of Na-related defects in Cu2ZnSnSe4.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(27),17799-17804.
MLA	Han, Miaomiao,et al."An investigation of Na-related defects in Cu2ZnSnSe4".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.27(2017):17799-17804.