In this work, a path to overcome the highest current efficiency on SnS thin-film solar cells by the Se incorporation is presented. We carried out a theoretical study of the effect of different Se/(S + Se) compositional ratios (CRs) (from 0.0 to 1.0) on the solar cell performance. In this sense, an improvement on power conversion efficiency (PCE) by decreasing the energy band gap (theoretical Se incorporation) from 1.35 to 1.08 eV was observed. All electrical output parameters (open-circuit voltage, short-circuit current density, fill factor and PCE) were increased by an augment of the CR from 0.25 to 0.75. A PCE of 10.23% was obtained for a CR of 0.75. Furthermore, a thickness optimization of the absorber was carried out, where the greatest PCE of 11.78% was obtained at 800 nm. On the other hand, a simulation at different work functions in back contact and different bulk defect density on the absorber were performed in order to achieve higher efficiencies.

中文翻译：

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Se /（S + Se）组成比对SnS基太阳能电池性能的影响：数值模拟

在这项工作中，提出了一种通过掺入硒来克服SnS薄膜太阳能电池上最高电流效率的途径。我们对不同的Se /（S + Se）组成比（CRs）（从0.0到1.0）对太阳能电池性能的影响进行了理论研究。从这个意义上讲，通过将能带隙（理论上的Se掺入）从1.35 eV减小到1.08 eV，可以观察到功率转换效率（PCE）的提高。通过将CR从0.25增大到0.75，可以增加所有电输出参数（开路电压，短路电流密度，填充系数和PCE）。对于0.75的CR，获得10.23％的PCE。此外，对吸收体的厚度进行了优化，在800 nm处获得了11.78％的最大PCE。另一方面，