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<p>This paper presents a detailed numerical study of HTLs in ITO/CdS/Sb<sub>2</sub>Se<sub>3</sub>/HTL/Au thin-film solar cells using SCAPS-1D. Three HTLs, Spiro-OMeTAD, PEDOT:PSS, and CuO, were evaluated systematically after the model validation with experimental J-V and EQE curves. Efficiencies of 10.53, 9.27, and 10.33% were observed in baseline simulations with Spiro-OMeTAD, PEDOT:PSS, and CuO, respectively. Bandgap, electron affinity, thickness, hole mobility, and acceptor density optimization were done to improve the performance of a device, with Spiro and CuO, both performing at about 10.57% efficiency, and PEDOT:PSS performing at about 10.56% efficiency. Results show that optimized inorganic CuO can compete with Spiro-OMeTAD in terms of efficiency (around 10.6%) and in terms of stability and cost. The paper presents a design map of HTL engineering in Sb<sub>2</sub>Se<sub>3</sub> solar cells, filling the gap between simulation and experimental feasibility.</p> Graphic Abstract <p></p>

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Numerical insights into the role of organic and inorganic hole transport layers in Sb2Se3 thin-film solar cells

  • 期刊论文

  • 发表日期：

    2025年12月22日

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  • Farhan Yousaf,
  • M. L. Albor-Aguilera,
  • Maykel Courel

摘要

This paper presents a detailed numerical study of HTLs in ITO/CdS/Sb2Se3/HTL/Au thin-film solar cells using SCAPS-1D. Three HTLs, Spiro-OMeTAD, PEDOT:PSS, and CuO, were evaluated systematically after the model validation with experimental J-V and EQE curves. Efficiencies of 10.53, 9.27, and 10.33% were observed in baseline simulations with Spiro-OMeTAD, PEDOT:PSS, and CuO, respectively. Bandgap, electron affinity, thickness, hole mobility, and acceptor density optimization were done to improve the performance of a device, with Spiro and CuO, both performing at about 10.57% efficiency, and PEDOT:PSS performing at about 10.56% efficiency. Results show that optimized inorganic CuO can compete with Spiro-OMeTAD in terms of efficiency (around 10.6%) and in terms of stability and cost. The paper presents a design map of HTL engineering in Sb2Se3 solar cells, filling the gap between simulation and experimental feasibility.

Graphic Abstract