<p>Despite significant advancements in inorganic metal-halide PSCs, lead (Pb)-based perovskite solar cells raise environmental concerns, underscoring the need for more sustainable and stable materials. This study analyses FrGeCl₃ as a theoretical benchmark for assessing the potential performance of lead-free germanium halide perovskites under optimal conditions. Although Fr is not suitable for practical applications, its electronic structure can help to predict the behaviour of future non-toxic materials with analogous properties. This work integrates FrGeCl₃ absorber with tungsten-based electron transport layers and copper-based hole transport layers to improve carrier mobility and stability. SCAPS-1D simulations are employed to examine the effects of various transport materials and device parameters on charge extraction, recombination, and efficiency. The analysis thoroughly investigates critical photovoltaic parameters, including layer thickness, J-V characteristics, temperature response, quantum efficiency, defect density, band alignment, interface defects and doping concentration. Optimising the FTO/WO₃/FrGeCl₃/CBTS/back-contact structure yields an open-circuit voltage (V<sub>oc</sub>) of 0.9219&#xa0;V, a short-circuit current density (J<sub>sc</sub>) of 40.989&#xa0;mA/cm², a fill factor of 83.30%, and a theoretical efficiency of 31.48%. The results presented here are intended to establish a theoretical performance ceiling and enhance the basic understanding needed to guide the design and synthesis of future stable, nonradioactive perovskites with analogous electronic characteristics.</p>

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Advanced device engineering using WO₃/CBTS interfaces for lead-free perovskite solar cells

  • Priyanka Singh,
  • Brijesh Kumar Pandey

摘要

Despite significant advancements in inorganic metal-halide PSCs, lead (Pb)-based perovskite solar cells raise environmental concerns, underscoring the need for more sustainable and stable materials. This study analyses FrGeCl₃ as a theoretical benchmark for assessing the potential performance of lead-free germanium halide perovskites under optimal conditions. Although Fr is not suitable for practical applications, its electronic structure can help to predict the behaviour of future non-toxic materials with analogous properties. This work integrates FrGeCl₃ absorber with tungsten-based electron transport layers and copper-based hole transport layers to improve carrier mobility and stability. SCAPS-1D simulations are employed to examine the effects of various transport materials and device parameters on charge extraction, recombination, and efficiency. The analysis thoroughly investigates critical photovoltaic parameters, including layer thickness, J-V characteristics, temperature response, quantum efficiency, defect density, band alignment, interface defects and doping concentration. Optimising the FTO/WO₃/FrGeCl₃/CBTS/back-contact structure yields an open-circuit voltage (Voc) of 0.9219 V, a short-circuit current density (Jsc) of 40.989 mA/cm², a fill factor of 83.30%, and a theoretical efficiency of 31.48%. The results presented here are intended to establish a theoretical performance ceiling and enhance the basic understanding needed to guide the design and synthesis of future stable, nonradioactive perovskites with analogous electronic characteristics.