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An investigation of Na-related defects in Cu2ZnSnSe4
Han, Miaomiao1,2; Zhang, Xiaoli1; Zeng, Zhi1,2
2017-07-21
Source PublicationPHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume19Issue:27Pages:17799-17804
AbstractUsing 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.
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
Funding Organizationspecial 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
WOS KeywordFILM SOLAR-CELLS ; ELECTRONIC-PROPERTIES ; EFFICIENCY ; POINTS ; METALS
Indexed BySCI
Language英语
Funding Organizationspecial 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 Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000405424100032
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.hfcas.ac.cn:8080/handle/334002/33525
Collection中科院固体物理研究所
Affiliation1.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
Recommended Citation
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.
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