Numerical simulation of Cs<sub>2</sub>TiBr<sub>6</sub>-based all-inorganic photovoltaic perovskite solar cell employing SCAPS-1D software

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Chinese explanation / 中文解读

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Original abstract

Lead halide perovskite solar cells (PSCs) show considerable promise, but their inherent drawbacks, including low stability and toxicity, pose environmental concerns. Therefore, exploring lead-free perovskite materials as potential alternative absorber layers is imperative. This work investigates a Cs2TiBr6/CZTSe photoactive heterostructure in which Cs2TiBr6 serves as the primary wide-bandgap absorber while CZTSe provides additional near-infrared absorption and hole transport. Numerical simulation is an effective way to identify suitable materials and device architectures for efficient photovoltaic systems, and it reduces fabrication costs and material wastage arising from extensive experimental trials. The SCAPS-1D software was employed to propose the FTO/CeOx/Cs2TiBr6/CZTSe/CuO/Pt electron transport layer-assisted (ETL-assisted) PSC, which delivered a high power conversion efficiency (PCE) of 27.12% after optimization of structural parameters. Results show an increase in PCE from 27.12% to 36.10% with increasing sunlight concentration from 1 to 50 suns. Comparatively, the optimized ETL-free counterpart design, FTO/Cs2TiBr6/CZTSe/CuO/Pt, yielded a comparable and slightly higher PCE of 27.14%. This ETL-free design represents a first attempt for the Cs2TiBr6-based perovskite absorber and provides a strategy for reducing fabrication cost and device complexity associated with multistack configurations.

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