Design and Simulation of CdS-Free Sb2(S, Se)3 Solar Cells with Efficiency Exceeding 20%

IF 7.1 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY ACS Sustainable Chemistry & Engineering Pub Date : 2023-12-29 DOI:10.1021/acssuschemeng.3c06210

Swapnil Barthwal, Siddhant Singh, Abhishek K. Chauhan and Ramesh Karuppannan*,

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Abstract

Sb₂(S, Se)₃ is a technologically intriguing material for the next generation of flexible and lightweight photovoltaic (PV) devices. Recently, photoelectric conversion efficiency (PCE) values of 10.75 and 11.66% have been reported in Sb₂(S, Se)₃ (single-junction) and Sb₂(S, Se)₃/Si (tandem) solar cells, respectively. However, all the high-performing Sb₂(S, Se)₃ solar cells (PCE >10%) employ toxic CdS and expensive Spiro-OMeTAD as electron and hole transport layers (ETL and HTL), respectively. Exploring eco-friendly and economical alternatives to the aforementioned layers is imperative for the sustainable advancement in this emerging PV technology. In this context, we investigated different ETL and HTL materials for Sb₂(S, Se)₃ solar cells via Solar Cell and Capacitance Simulator (SCAPS). Our study endorses ZnSe and CuSbS₂ as the potential replacement of CdS and Spiro-OMeTAD, respectively. The ameliorated optimized device demonstrated a PCE of 20.01%, outperforming a (CdS- and Spiro-OMeTAD-based) baseline device (PCE of 10.65%). This work presents judicious recommendations for the fabrication of economical, sustainable, and highly efficient Sb₂(S, Se)₃ solar cells.

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设计和模拟效率超过 20% 的无镉 Sb2(S, Se)3 太阳能电池

Sb2(S,Se)3是下一代柔性轻质光伏（PV）设备的一种技术性材料。最近，Sb2（S，Se）3（单结）和 Sb2（S，Se）3/硅（串联）太阳能电池的光电转换效率（PCE）分别达到了 10.75% 和 11.66%。然而，所有高性能的 Sb2（S，Se）3 太阳能电池（PCE >10%）都分别采用了有毒的 CdS 和昂贵的 Spiro-OMeTAD 作为电子和空穴传输层（ETL 和 HTL）。要想持续推进这一新兴光伏技术的发展，探索上述层的生态友好型经济替代品势在必行。在此背景下，我们通过太阳能电池和电容模拟器（SCAPS）研究了用于 Sb2（S，Se）3 太阳能电池的不同 ETL 和 HTL 材料。研究结果表明，ZnSe 和 CuSbS2 可分别替代 CdS 和 Spiro-OMeTAD。改进后的优化器件的 PCE 为 20.01%，优于（基于 CdS 和 Spiro-OMeTAD 的）基线器件（PCE 为 10.65%）。这项研究为制造经济、可持续和高效的 Sb2（S，Se）3 太阳能电池提出了明智的建议。

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来源期刊

ACS Sustainable Chemistry & Engineering CHEMISTRY, MULTIDISCIPLINARY-ENGINEERING, CHEMICAL

CiteScore

13.80

自引率

4.80%

发文量

1470

审稿时长

1.7 months

期刊介绍： ACS Sustainable Chemistry & Engineering is a prestigious weekly peer-reviewed scientific journal published by the American Chemical Society. Dedicated to advancing the principles of green chemistry and green engineering, it covers a wide array of research topics including green chemistry, green engineering, biomass, alternative energy, and life cycle assessment. The journal welcomes submissions in various formats, including Letters, Articles, Features, and Perspectives (Reviews), that address the challenges of sustainability in the chemical enterprise and contribute to the advancement of sustainable practices. Join us in shaping the future of sustainable chemistry and engineering.