A comprehensive study to evaluate performances of Cs3Sb2I9-based perovskite solar cell with Spiro-MeOTAD HTL using SCAPS-1D simulator

IF 3.9 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Materials Science and Engineering B-advanced Functional Solid-state Materials Pub Date : 2024-10-10 DOI:10.1016/j.mseb.2024.117740

Imon Hasan , Tanvir Mahtab Khan , Benjer Islam , Md. Ferdous Rahman , Sheikh Rashel Al Ahmed

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Abstract

This study designs and analyzes a Cs₃Sb₂I₉-based perovskite solar cell (PSC) using the SCAPS-1D simulator, proposing a planar structure of Mo/Spiro-MeOTAD/Cs₃Sb₂I₉/ZnO_0.25S_0.75/FTO/Al. The performance of the Cs₃Sb₂I₉ PSC is compared using different hole transport layers (HTLs). It is revealed that Spiro-MeOTAD HTL provides better band alignment with active layer, thus minimizing recombination loss. The photovoltaic properties are also evaluated by adjusting bulk defect density, HTL/absorber and absorber/ETL interface defects, doping levels, and layer thicknesses. The impacts of metal work function and temperature on device efficiency are further explored. After optimizing the device parameters, the simulated PSC achieves efficiency of 20.25 % with open-circuit voltage (V_oc) of 1.52 V, short-circuit current density (J_sc) of 15.02 mA/cm², and fill-factor (FF) of 88.31 %. These results indicate that ZnO_0.25S_0.75 as an electron transport layer and Spiro-MeOTAD as a hole transport layer can be effectively used to create efficient, cost-effective, and eco-friendly Cs₃Sb₂I₉-based PSCs.

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利用 SCAPS-1D 模拟器全面评估采用斯派罗-MeOTAD HTL 的 Cs3Sb2I9 型过氧化物太阳能电池性能的研究

本研究利用 SCAPS-1D 模拟器设计和分析了一种基于 Cs3Sb2I9 的过氧化物太阳能电池（PSC），提出了一种由 Mo/Spiro-MeOTAD/Cs3Sb2I9/ZnO0.25S0.75/FTO/Al 组成的平面结构。使用不同的空穴传输层（HTL）对 Cs3Sb2I9 PSC 的性能进行了比较。结果表明，Spiro-MeOTAD HTL 能更好地与有源层进行带对齐，从而将重组损耗降至最低。通过调整块状缺陷密度、HTL/吸收体和吸收体/ETL 界面缺陷、掺杂水平和层厚度，还对光伏特性进行了评估。此外，还进一步探讨了金属功函数和温度对器件效率的影响。优化器件参数后，模拟的 PSC 效率达到 20.25%，开路电压 (Voc) 为 1.52 V，短路电流密度 (Jsc) 为 15.02 mA/cm2，填充因子 (FF) 为 88.31%。这些结果表明，ZnO0.25S0.75 作为电子传输层，Spiro-MeOTAD 作为空穴传输层，可以有效地用于制造高效、经济和环保的 Cs3Sb2I9 型 PSC。

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来源期刊

Materials Science and Engineering B-advanced Functional Solid-state Materials 工程技术-材料科学：综合

CiteScore

5.60

自引率

2.80%

发文量

481

审稿时长

3.5 months

期刊介绍： The journal provides an international medium for the publication of theoretical and experimental studies and reviews related to the electronic, electrochemical, ionic, magnetic, optical, and biosensing properties of solid state materials in bulk, thin film and particulate forms. Papers dealing with synthesis, processing, characterization, structure, physical properties and computational aspects of nano-crystalline, crystalline, amorphous and glassy forms of ceramics, semiconductors, layered insertion compounds, low-dimensional compounds and systems, fast-ion conductors, polymers and dielectrics are viewed as suitable for publication. Articles focused on nano-structured aspects of these advanced solid-state materials will also be considered suitable.