Binary antimony selenide (Sb₂Se₃) is a promising inorganic light-harvesting material with high stability, nontoxicity, and wide light harvesting capability. In this photovoltaic material, it has been recognized that deep energy level defects with large carrier capture cross section, such as V_Se (selenium vacancy), lead to serious open-circuit voltage (V_OC) deficit and in turn limit the achievable power conversion efficiency (PCE) of Sb₂Se₃ solar cells. Understanding the nature of deep-level defects and establishing effective method to eliminate the defects are vital to improving V_OC. In this study, a novel directed defect passivation strategy is proposed to suppress the formation of V_Se and maintain the composition and morphology of Sb₂Se₃ film. In particular, through systematic study on the evolution of defect properties, the pathway of defect passivation reaction is revealed. Owing to the inhibition of defect-assisted recombination, the V_OC increases, resulting in an improvement of PCE from 7.69% to 8.90%, which is the highest efficiency of Sb₂Se₃ solar cells prepared by thermal evaporation method with superstrate device configuration. This study proposes a new understanding of the nature of deep-level defects and enlightens the fabrication of high quality Sb₂Se₃ thin film for solar cell applications.

中文翻译：

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高效太阳能电池硒化锑薄膜中阴离子空位的主动钝化


二元硒化锑（Sb ₂ Se ₃ ）是一种具有高稳定性、无毒性和广泛的光捕获能力的有前景的无机光捕获材料。在这种光伏材料中，人们已经认识到具有大载流子捕获截面的深能级缺陷，例如V _Se （硒空位），会导致严重的开路电压（V _OC Se ₃ 太阳能电池可实现的功率转换效率（PCE）。了解深层次缺陷的本质并建立有效的方法来消除缺陷对于提高V _OC 至关重要。在本研究中，提出了一种新颖的定向缺陷钝化策略来抑制V _Se 的形成并保持Sb ₂ Se ₃ 薄膜的成分和形貌。特别是，通过对缺陷性质演变的系统研究，揭示了缺陷钝化反应的途径。由于缺陷辅助复合的抑制，V _OC 增加，导致 PCE 从 7.69% 提高到 8.90%，这是 Sb ₂ Se < b12>采用热蒸发法制备的具有Superstrate器件配置的太阳能电池。这项研究提出了对深层缺陷本质的新认识，并启发了用于太阳能电池应用的高质量 Sb ₂ Se ₃ 薄膜的制造。