Numerical optimization of Zintl phosphide BaCd ₂ P ₂ based thin film solar cell using SCAPS-1D simulation

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Chinese explanation / 中文解读

中文解读待补充：本站会优先为光伏效率、钙钛矿太阳能电池、储能技术、太阳能热利用、BIPV、并网技术等高价值论文补充中文说明。

Original abstract

Abstract Thin-film photovoltaics are widely explored for decarbonized energy generation due to their lightweight form factor, mechanical flexibility, and potential for low-cost fabrication. However, their broader deployment is still constrained by relatively modest efficiencies and concerns related to material scarcity and long-term stability. In this work, we investigate the use of the Zintl-phosphide compound BaCd₂P₂ as a promising absorber material due to its suitable direct band gap and favorable optoelectronic properties for photovoltaic applications. These attributes position BaCd₂P₂ as an earth-abundant and potentially high-performance absorber for next-generation photovoltaics. We numerically analyze an n–p–p⁺ heterojunction solar cell architecture consisting of WO₃ as the electron transport layer (ETL), BaCd₂P₂ as the absorber, and CFTS as the hole transport layer (HTL). The study evaluates the influence of key material and device parameters including the thicknesses of individual layers, absorber defect and acceptor densities, ETL donor concentration, interfacial defect densities, and radiative recombination rates on the photovoltaic performance metrics: fill factor (FF), open-circuit voltage (Voc), short-circuit current density (Jsc), and power conversion efficiency (PCE). The effects of operating temperature as well as series and shunt resistances are also examined, along with capacitance–voltage (C–V) characteristics to further understand device behavior. Through systematic optimization, the proposed BaCd₂P₂-based thin-film solar cell achieves Voc ~ 0.72 V, Jsc ~ 34.16 mA-cm⁻², FF ~ 71.13%, and PCE ~ 17.51%. These results highlight the strong potential of Zintl-phase phosphides, particularly BaCd₂P₂ as viable absorber for high-performance and sustainable thin-film photovoltaic technologies.

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