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Lead-free K2MnTlH6 double perovskite solar cells with WS2/CBTS interfaces achieving > 29% efficiency: a comprehensive SCAPS-1D simulation study
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DOI：10.1007/s40243-026-00382-6.png)
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Abstract
En 中文
This study investigates the double-perovskite hydride K2MnTlH6 as a promising and previously unexplored absorber for perovskite solar cells (PSCs) using the SCAPS-1D simulator. Key parameters including the electron-transport layer (WS2), hole-transport layer (CBTS), absorber thickness, defect density, and doping concentration are systematically optimized. Results show that WS₂ and CBTS provide favorable band alignment and efficient carrier extraction, enhancing the open-circuit voltage (VOC), short-circuit current density (JSC), fill factor (FF), and overall power conversion efficiency (PCE). Interfacial defect densities at the WS2/K2MnTlH6 and K2MnTlH6/CBTS interfaces are analyzed to elucidate recombination and charge-transfer behavior. Additional evaluations of series resistance, shunt resistance, and operating temperature assess device performance under realistic conditions. The optimized configuration achieves a VOC of 1.13 V, JSC of 34.74 mA/cm², FF of 83.56%, and a PCE of 29.41%, confirming K2MnTlH6 as a strong candidate for next-generation, environmentally friendly PSCs.
Keywords:
K2MnTlH6
PSCs
SCAPS-1D
Photovoltaic performance
Journal
IF:
5.5
Papers:
223
Citations:
955
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Cited Papers