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◆ Molecules (Basel, Switzerland)2026-09-11

Numerical Investigation of CsSnI3 Absorber Layer Parameters Toward Efficient Tin-Based Perovskite Solar Cells.

Zhongjie Wang, Zihan Tao, Changxin Sun, Hengyu Liu, Xinru Wang, Xinrui Guan, Songyang Ma, Benxiong Hu, Yunxiang Zhang, Qinfang Zhang

原始摘要(英文原文)· Original abstract
Lead-free tin-based perovskites, particularly CsSnI3, offer a promising route toward environmentally benign photovoltaics, yet their device performance still lags behind lead-based counterparts. In this work, we perform a systematic SCAPS-1D simulation study on a planar heterojunction CsSnI3 solar cell with a TiO2 electron transport layer and a P3HT hole transport layer. We focus on the interplay between absorber-layer properties, acceptor doping concentration, thickness, defect density, carrier mobility, and parasitic resistances. Our results reveal that an optimal acceptor density around 1019 cm-3 balances built-in potential enhancement against Shockley-Read-Hall recombination, yielding the highest efficiency. Thicker absorbers improve light harvesting but aggravate bulk recombination, while defect densities above 1016 cm-3 cause catastrophic performance collapse. High carrier mobility (>1 cm2/V·s) is essential for efficient collection, and series resistance must be kept below 2 Ω·cm2 to avoid fill factor degradation. Under optimized conditions, the device achieves a theoretical efficiency exceeding 27%, demonstrating the critical role of co-optimizing absorber parameters for high-performance, lead-free perovskite solar cells.
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Numerical Investigation of CsSnI3 Absorber Layer Parameters Toward Efficient Tin-Based Perovskite Solar Cells. — 科研速览 Science Skim