Institutional Repository of Chinese Acad Sci, Inst Solid State Phys, Hefei 230031, Anhui, Peoples R China
The suppression of Cu-related charge localized defects in Cu2ZnSnS4 thin film solar cells | |
Zhang, Xiaoli1; Han, Miaomiao1; Zheng, Xiaohong1; Zeng, Zhi1,2 | |
2018-06-15 | |
发表期刊 | SOLAR ENERGY MATERIALS AND SOLAR CELLS |
ISSN | 0927-0248 |
摘要 | Cu2ZnSnS4 (CZTS) is a promising low cost thin-film solar cell material. However, the charge localized defects greatly hinder the improvement of the solar cell efficiency, thus the identification and knowledge of the possible charge localized defects in it are extremely important. Using hybrid functional calculation, we find that Cus, and Cuz, are the main charge localized defects in CZTS. In detail, our results show that Cusn is a deep level recombination center. Moreover, the growth condition of Sn determines the population of Cus because the stable chemical potential region of dys ([1.74, 0] eV) is larger than that of Apo, ([0.77, 0] eV). Thus Sn-rich growth condition is proposed to suppress the Cusn. As for Cu-zn antisites, part is deep acceptors which will be beneficial for the efficiency of solar cell, while part forms donor-acceptor pairs with Zn-cn. The Cu-zn + Zn-cu donor-acceptor pairs will lead to large potential fluctuation in CZTS, which is a disadvantageous factor. Fortunately, such pairs can be greatly suppressed by Cd doping due to two reasons: one is that the Cd atoms prefer to substitute the Zn atomic sites leading to the reduction of the Cu-zn, concentration, and the other is that the Cd dopant in the CZTS makes it difficult for its neighboring Zn atom be substituted by Cu atom. |
关键词 | Defect Charge localization Formation energy Charge transition energy CZTS |
DOI | 10.1016/j.solmat.2018.02.025 |
关键词[WOS] | AUGMENTED-WAVE METHOD ; KESTERITE CU2ZNSNS4 ; OPTICAL-PROPERTIES |
收录类别 | SCI |
语种 | 英语 |
资助项目 | Beijing Computational Science Research Center (CSRC) ; NSFC[U1230202] ; NSFC[11204310] ; 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[U1230202] ; Beijing Computational Science Research Center (CSRC) |
WOS研究方向 | Energy & Fuels ; Materials Science ; Physics |
WOS类目 | Energy & Fuels ; Materials Science, Multidisciplinary ; Physics, Applied |
WOS记录号 | WOS:000430765600014 |
出版者 | ELSEVIER SCIENCE BV |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://ir.hfcas.ac.cn:8080/handle/334002/35586 |
专题 | 中科院固体物理研究所 |
通讯作者 | Zeng, Zhi |
作者单位 | 1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Anhui, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China |
推荐引用方式 GB/T 7714 | Zhang, Xiaoli,Han, Miaomiao,Zheng, Xiaohong,et al. The suppression of Cu-related charge localized defects in Cu2ZnSnS4 thin film solar cells[J]. SOLAR ENERGY MATERIALS AND SOLAR CELLS,2018,180(无):118-122. |
APA | Zhang, Xiaoli,Han, Miaomiao,Zheng, Xiaohong,&Zeng, Zhi.(2018).The suppression of Cu-related charge localized defects in Cu2ZnSnS4 thin film solar cells.SOLAR ENERGY MATERIALS AND SOLAR CELLS,180(无),118-122. |
MLA | Zhang, Xiaoli,et al."The suppression of Cu-related charge localized defects in Cu2ZnSnS4 thin film solar cells".SOLAR ENERGY MATERIALS AND SOLAR CELLS 180.无(2018):118-122. |
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