Tailoring ETL/HTL combinations for high-performance ITO/i-ZnO/ZnS/SnSe/SnTe solar cells: A simulation approach

Abstract

This computational study employs SCAPS-1D simulations to systematically investigate the performance of SnSe-based solar cells through comprehensive multi-parameter optimization. We explored the critical impacts of hole transport layers (HTLs: MoS2, MoTe2, P-Graphene, SnTe) and electron transport layers (ETLs: CdS, SnS2, STO, ZnS, ZnSe) on photovoltaic characteristics. Detailed analyses of J-V characteristics and quantum efficiency (QE-λ) curves revealed significant variations in solar cell performance across different layer configurations. By meticulously examining layer thicknesses, energy gaps, electron affinities, carrier densities, and interface defect characteristics, we identified optimal device parameters. Our investigation demonstrated that strategic material selection and precise layer engineering can dramatically influence photovoltaic performance. Critical parameters such as interface defect densities, work functions, and resistance mechanisms were found to substantially impact short-circuit current (Jsc), open-circuit voltage (Voc), fill factor (FF), and overall power conversion efficiency (PCE). The simulation achieved an impressive power conversion efficiency (PCE) of 34.322%, with key performance metrics of 0.856 V open-circuit voltage (Voc), 48.279 mA/cm2 short-circuit current density (Jsc), and 83.049% fill factor (FF). Critical insights emerged regarding the significant impacts of contact work functions, series resistance, and interface defect densities on device performance. These findings provide valuable guidance for designing next-generation SnSe-based photovoltaic devices, underscore the importance of precise material engineering, and interface management in high-efficiency solar cell development.

Keywords

• SnSe solar cell
• SCAPS-1D simulations
• Defect density
• Shunt resistance
• SnTe