Abundance of CuZn + SnZn and 2CuZn + SnZn defect clusters in kesterite solar cells

被引：174

作者：

Chen, Shiyou ^{[1
,2
]}

Wang, Lin-Wang ^{[2
]}

Walsh, Aron ^{[3
,4
]}

Gong, X. G. ^{[5
,6
]}

Wei, Su-Huai ^{[7
]}

机构：

[1] E China Normal Univ, Key Lab Polar Mat & Devices MOE, Shanghai 200241, Peoples R China

[2] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, JCAP, Berkeley, CA 94720 USA

[3] Fudan Univ, Key Lab Computat Phys Sci MOE, Shanghai 200433, Peoples R China

[4] Fudan Univ, Surface Phys Lab, Shanghai 200433, Peoples R China

[5] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England

[6] Univ Bath, Ctr Sustainable Chem Technol, Bath BA2 7AY, Avon, England

[7] Natl Renewable Energy Lab, Golden, CO 80401 USA

来源：

APPLIED PHYSICS LETTERS | 2012年 / 101卷 / 22期

基金：

英国工程与自然科学研究理事会;

关键词：

SOLAR-CELL; PRECURSORS; CUINSE2;

D O I：

10.1063/1.4768215

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Kesterite solar cells show the highest efficiency when the absorber layers (Cu2ZnSnS4 [CZTS], Cu2ZnSnSe4 [CZTSe] and their alloys) are non-stoichiometric with Cu/(Zn + Sn) approximate to 0: 8 and Zn/Sn approximate to 1: 2. The fundamental cause is so far not understood. Using a first-principles theory, we show that passivated defect clusters such as Cu-Zn + Sn-Zn and 2Cu(Zn) + Sn-Zn have high concentrations even in stoichiometric samples with Cu/(Zn+Sn) and Zn/Sn ratios near 1. The partially passivated Cu-Zn + Sn-Zn cluster produces a deep donor level in the band gap of CZTS, and the fully passivated 2Cu(Zn) + Sn-Zn cluster causes a significant band gap decrease. Both effects are detrimental to photovoltaic performance, so Zn-rich and Cu, Sn-poor conditions are required to prevent their formation and increase the efficiency. The donor level is relatively shallower in CZTSe than in CZTS, which gives an explanation to the higher efficiency obtained in Cu2ZnSn(S, Se)(4) (CZTSSe) cells with high Se content. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4768215]

引用

页数：4

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