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An investigation of Na-related defects in Cu2ZnSnSe4
Han, Miaomiao1,2; Zhang, Xiaoli1; Zeng, Zhi1,2
2017-07-21
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷号19期号:27页码:17799-17804
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
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) ; 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) ; 11534012) ; 11534012) ; 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 ; 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)
DOI10.1039/c7cp02192e
关键词[WOS]FILM SOLAR-CELLS ; ELECTRONIC-PROPERTIES ; EFFICIENCY ; POINTS ; METALS
收录类别SCI
语种英语
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) ; 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) ; 11534012) ; 11534012) ; 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 ; 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)
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:1[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
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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.
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