<p>This research presents a novel approach for enhancing the performance of environmentally friendly Cs<sub>2</sub>BiCuI<sub>6</sub>-based double perovskite solar cells (d-PSCs) through interface engineering, employing terbium-doped fluorine-doped tin oxide (Tb-FTO) as a transparent front electrode and graphene oxide (GO) as a hole transport layer. Using SCAPS-1D simulations, we systematically analyze the effect of Tb doping on FTO’s optoelectronic properties, revealing improved charge carrier mobility, band alignment, and light transmission. These improvements translate into superior photovoltaic metrics: a Voc of 0.96&#xa0;V, Jsc of 36.45&#xa0;mA/cm², FF of 79.06%, and a PCE of 27.67%, which is higher than the efficiency in the undoped FTO device. Additionally, we explore the influence of active layer thickness, defect and doping densities, temperature, and parasitic resistances (Rs and Rsh), identifying optimal conditions for device stability and performance. The novelty of this study lies in the strategic integration of rare-earth element doping in TCO and GO interface engineering, offering a new route toward high-efficiency, lead-free, and sustainable perovskite photovoltaics. Furthermore, machine learning algorithms were employed alongside SCAPS-1D outputs to model complex parameter–performance relationships, enabling predictive optimization and providing deeper insight into device behavior beyond the simulated parameter space.</p>

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Enhanced optoelectronic behavior of eco-friendly Cs2BiCuI6 double perovskite solar cells via terbium-doped FTO and graphene oxide interface engineering

  • Mohsin Khan,
  • Ghazi Aman Nowsherwan,
  • Umar Farooq Ali,
  • Bushra Mazhar,
  • Saira Riaz,
  • Shahzad Naseem

摘要

This research presents a novel approach for enhancing the performance of environmentally friendly Cs2BiCuI6-based double perovskite solar cells (d-PSCs) through interface engineering, employing terbium-doped fluorine-doped tin oxide (Tb-FTO) as a transparent front electrode and graphene oxide (GO) as a hole transport layer. Using SCAPS-1D simulations, we systematically analyze the effect of Tb doping on FTO’s optoelectronic properties, revealing improved charge carrier mobility, band alignment, and light transmission. These improvements translate into superior photovoltaic metrics: a Voc of 0.96 V, Jsc of 36.45 mA/cm², FF of 79.06%, and a PCE of 27.67%, which is higher than the efficiency in the undoped FTO device. Additionally, we explore the influence of active layer thickness, defect and doping densities, temperature, and parasitic resistances (Rs and Rsh), identifying optimal conditions for device stability and performance. The novelty of this study lies in the strategic integration of rare-earth element doping in TCO and GO interface engineering, offering a new route toward high-efficiency, lead-free, and sustainable perovskite photovoltaics. Furthermore, machine learning algorithms were employed alongside SCAPS-1D outputs to model complex parameter–performance relationships, enabling predictive optimization and providing deeper insight into device behavior beyond the simulated parameter space.