Device design and simulation of wide band-gap CsPbBr3 based ETL-free perovskite solar cell

Haoze Li, Jingwen Cheng, Liang Tu, Haoming Wang, Xiaohui Liu, Jing Zhang, Yuejin Zhu and Like Huang

Renewable Energy, 2025, vol. 245, issue C

Abstract: With its high stability, cesium lead bromide (CsPbBr3) has drawn huge attention in tandem solar cells. Here, we report a detailed performance analysis of CsPbBr3-based ETL-free perovskite solar cell (PSCs) via the SCAPS-1D. Optimal device performance occurs with anode and cathode work functions above 5.1 eV and below 4.4 eV, respectively. The power conversion efficiencies (PCEs) decrease when the donor doping density (ND) of the absorber layer and accepter doping density (NA) exceeds 1019 cm−3 and absorber defect density (Nt) exceeds 1015 cm−3. We also calculated the impact of point defect within CsPbBr3, finding that PbBr2+ and VCs1− significantly impact device performance. The PCE significantly decrease when the Nt of front interface exceeds 1013 cm−3. Furthermore, the proper valence band offset (VBO) of −0.3∼0.05 eV and conduction band offset (CBO) of −0.05∼0.4 eV positively affects device performance, indicating that FTO is an appropriate electrode and a suitable HTL remains to be identified. Finally, we investigated the impact of interface recombination velocity and analyze the loss mechanism of VOC, showing that energy level mismatch, JSC and J0 and defects are the significant reasons for VOC loss. These results help fabricate highly stable and efficient wide-bandgap PSCs based on CsPbBr3.

Keywords: CsPbBr3; Perovskite solar cells; Device simulation; SCAPS-1D (search for similar items in EconPapers)
Date: 2025
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Persistent link: https://EconPapers.repec.org/RePEc:eee:renene:v:245:y:2025:i:c:s0960148125004276

DOI: 10.1016/j.renene.2025.122765

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