Characterization of defects in copper antimony disulfide
Characterization of defects in copper antimony disulfide
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DOI：
10.1039/c7ta07012h
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发表时间：
2017-10
影响因子：
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通讯作者：
F. W. Lucas;Haowei Peng;S. Johnston;P. Dippo;S. Lany;L. Mascaro;A. Zakutayev
中科院分区：
文献类型：
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作者：
F. W. Lucas;Haowei Peng;S. Johnston;P. Dippo;S. Lany;L. Mascaro;A. Zakutayev
具有硫锑酸盐结构的二硫化锑铜（CuSbS 2）是一种很有前途的光伏（PV）吸收材料，具有几种优异的光电性能，例如太阳能匹配的带隙和可调的空穴浓度。然而，从实验的角度来看，对CuSbS 2中的缺陷知之甚少，尽管这些缺陷对太阳能电池性能至关重要。在这里，我们探索CuSbS 2薄膜材料和光伏器件中的缺陷特性，使用光致发光和基于电容的光谱，以及第一原理理论计算。我们测量了CuSbS 2中的三个电学和光学活性受体缺陷，并将其分配给铜空位，硫空位和/或铜锑反位通过与理论计算的比较。它们的活化能，浓度和捕获截面已被确定，并与其他硫族化物吸收材料。这些基本参数应该能够更准确地模拟CuSbS 2光伏器件，为未来提高CuSbS 2太阳能电池效率铺平道路。
Copper antimony disulfide (CuSbS2) with the chalcostibite structure is a promising photovoltaic (PV) absorber material with several excellent measured optoelectronic properties, such as a solar matched band gap and tunable hole concentration. However, much less is known from an experimental perspective about defects in CuSbS2, even though the defects are critical for solar cell performance. Here, we explore the defect properties in CuSbS2 thin film materials and photovoltaic devices using photoluminescence and capacitance-based spectroscopies, as well as first principles theoretical calculations. We measured three electrically and optically active acceptor defects in CuSbS2, and assigned them to the copper vacancies, sulfur vacancies, and/or copper on antimony antisites by comparison with theoretical calculations. Their activation energies, concentrations, and capture cross sections have been determined and compared to other chalcogenide absorber materials. These fundamental parameters should enable more accurate simulations of CuSbS2 PV devices, paving the way for future improvements in CuSbS2 solar cell efficiencies.