Design and Optimization of Lead-Free Chalcogenide Perovskite Solar Cells: 30.64% Efficiency with MgHfS₃ Absorber

Omkar Chowdhury; Utsa Bhowmik

doi:10.38032/scse.2026.4.40

Authors

Omkar Chowdhury Department of Electrical and Electronic Engineering, CUET, Chattogram-4349, Bangladesh
Utsa Bhowmik Department of Electrical and Electronic Engineering, CUET, Chattogram-4349, Bangladesh

DOI:

https://doi.org/10.38032/scse.2026.4.40

Keywords:

Chalcogenide, Perovskite, SCAPS-1D, MgHfS3

Abstract

This study presents a numerical simulation of an inorganic, lead-absent chalcogenide perovskite with the configuration FTO/ZrS₂/MgHfS₃/SnS/Pt, utilizing the SCAPS-1D simulator. The device employs MgHfS₃ as the absorber layer due to its promising bandgap of 1.43 eV and enhanced moisture stability. The effects of light-harvesting layer thickness and doping levels of the electron transport layer (ZrS₂) and hole transport layer (SnS) were systematically investigated to optimize photovoltaic performance. The results demonstrate that an absorber thickness of 1.1 μm and doping concentrations of 10¹⁹ cm⁻³ for both ETL and HTL yield a maximum power conversion efficiency of 30.64% at a defect density of 10¹⁵cm⁻³, with an open-circuit voltage (V_OC) of 1.1611 V, short-circuit current density (J_SC) of 31.19 mA/cm², and fill factor (FF) of 84.6%. The impact of operating temperature was also analyzed, revealing a slight decline in performance with increasing temperature. These findings highlight the potential of MgHfS₃-based chalcogenide perovskite solar cells as a stable and efficient alternative to conventional perovskite solar cells, offering a pathway toward sustainable and high-performance photovoltaic technology.

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