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May 20, 2026Discover Applied Sciences0 citationsOpen Access

Numerical optimization of chalcogenide perovskite solar cells using PEDOT PSS as hole transport layer through SCAPS 1D simulation

AKAjay KumarAJAbhinav JainYAYashasvi Attri

Key Points

  • This study aims to optimize chalcogenide perovskite solar cells by evaluating different hole transport layers.
  • Utilized SCAPS-1D numerical simulation to assess perovskite solar cell performance.
  • Evaluated four-hole transport layers: Cu2O, CuSCN, P3HT, and PEDOT: PSS.
  • Optimized absorber thickness and bulk densities in hole transport layers.
  • Devices with PEDOT: PSS achieved the highest power conversion efficiency of 23.63%.
  • Other configurations with P3HT, CuSCN, and Cu2O showed efficiencies of 12.21%, 12.25%, and 14.14% respectively.
  • Best device parameters: Voc of 1.261691 V, Jsc of 22.42723734 mA/cm², and Fill Factor of 83.53%.

Abstract

Abstract Perovskite solar cells (PSCs) display extraordinary power conversion efficiencies (PCEs); as the third-generation thin film solar cell, it showcases remarkable PCE nearing 25%, surpassing other solar cell types such as C-Si (23%), CdTe (22%), and CIGS (23–24%). Nevertheless, challenges like instability, lead toxicity, and interfacial recombination obstruct their market introduction. This study utilized a numerical simulation method with SCAPS-1D to evaluate the efficacy of chalcogenide-based perovskite solar cells featuring a structure of FTO/CdS/BaZrS 3 /HTL/Ir. Four-hole transport layers (HTLs)-Cu 2 O, CuSCN, P3HT, and PEDOT: PSS-were evaluated to examine the way they affect the performance of the device. The thickness of the absorber and the bulk densities in the HTL were optimized for peak efficiency. Of all the configurations, devices based on PEDOT: PSS reached the highest PCE of 23.63% while the other devices based on P3HT, CuSCN, and Cu 2 O reached the PCE of 12.21%, 12.25%, and 14.14% respectively. The other photovoltaic parameters for the best device having PEDOT: PSS as HTL were an open-circuit voltage (Voc) of 1.261691 (V), short-circuit current density (Jsc) of 22.42723734 mA/cm 2 , and a Fill Factor of 83.53% due to advantageous energy alignment and diminished recombination losses. This study highlights the significance of selecting HTL and optimize absorbers in order to achieve effective, environmentally friendly PSCs.

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Cite This Study

Kumar et al. (2026) studied this question.

synapsesocial.com/papers/6a0d4f34f03e14405aa9a68ahttps://doi.org/10.1007/s42452-026-08814-8
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