Barium zirconium sulfide (BaZrS₃), a chalcogenide perovskite, is attracting a lot of attention for thin-film photovoltaic (PV) application. Unlike the lead halide perovskites, it is stable and does not contain toxic elements. Herein, PV devices incorporating barium zirconium sulfide (BZS) are investigated numerically as a photoabsorber with a back-contact layer of both crystalline and amorphous p+ type silicon, using a Solar Cell Capacitance Simulator software-1D. The titanium (Ti) alloyed BZS, which has an electron-energy bandgap close to optimum for a single junction PV device, is also investigated. A systematic study is carried out by varying the thickness, doping density, and defect density in the BZS layer. Among the two phases of Si, the amorphous one results in higher photoconversion efficiency (PCE) due to a favorable energy band alignment with BZS. The corresponding best PCEs predicted from the study are 19.7% for BZS films and 30% for Ba(Zr_0.95Ti_0.05)S₃ films with the amorphous Si as back-contact.

中文翻译：

---

使用 SCAPS-1D 分析基于 BaZrS3 的硫系钙钛矿太阳能电池的 Si 背接触

硫化锆钡 (BaZrS ₃），一种硫族化物钙钛矿，在薄膜光伏（PV）应用中引起了广泛关注。与卤化铅钙钛矿不同，它很稳定并且不含有毒元素。在此，使用太阳能电池电容模拟器软件 1D 对包含硫化锆锆 (BZS) 的光伏器件作为具有晶体和非晶 p+ 型硅背接触层的光吸收器进行了数值研究。还研究了钛 (Ti) 合金 BZS，其电子能带隙接近单结光伏器件的最佳值。通过改变 BZS 层的厚度、掺杂密度和缺陷密度进行了系统研究。在 Si 的两相中，非晶相由于与 BZS 的能带排列良好，因此具有更高的光电转换效率 (PCE)。_0.95 Ti _0.05 )S ₃薄膜，以非晶Si作为背接触。