Study, design and modelling of advanced solar cells

Abstract

This thesis is part of the development of new-generation photovoltaic technologies capable of meeting global energy and environmental challenges. Faced with the structural and efficiency limitations of silicon solar cells, perovskite-based materials have emerged as a promising alternative thanks to their remarkable optoelectronic properties, low manufac turing cost and flexibility of integration. The main objective of this work is to study, design, and model advanced perovskite-based solar cells, as well as perovskite/silicon tan dem architectures, using analytical approaches and numerical simulations, and to validate the obtained results by comparison with a experimental study. First, a rigorous analyt ical model was developed to describe the electrical behaviour of a single-junction n–i–p perovskite cell. This model is based on the coupled solution of the continuity and Poisson equations, integrating optical generation and the internal electric field in the absorbing layer. The analytical expressions obtained were used to plot the current-voltage (J–V) characteristics and extract the essential photovoltaic parameters, revealing a power con version efficiency (PCE) of 12.8%, very close to the experimental value of 13.15% reported in the literature. Parametric analysis showed that the thickness of the perovskite layer directly influences the overall efficiency, while the doping of the electron transport layer (TiO2) plays a decisive role in charge extraction efficiency. Extending the model to a perovskite/silicon (n–i–p) tandem architecture demonstrated the superiority of this con figuration, achieving efficiencies greater than 26%, while validating the relevance of the proposed analytical model. In a second step, numerical simulations were performed using Silvaco TCAD software to confirm the validity of the model and study the effects of physical and technological pa rameters on performance. The reference structure FTO/TiO2/MAPbI3/Spiro-OMeTAD was first simulated, then optimised by introducing Ruddlesden–Popper-type 2D/3D hy brid materials, which improved efficiency from 12.69% (MAPbI3) to 18.32%, representing a significant gain in performance while enhancing the stability of the device. Compara tive analysis of hole transport layers (HTL) showed that the PolyTPD compound offers the best compromise between efficiency and durability. On this basis, a perovskite/sil icon HJT tandem cell was designed, demonstrating excellent spectral complementarity and efficiencies exceeding 30%. Finally, a complementary thermal study highlighted the sensitivity of performance to temperature variations, confirming the need for optimised thermal management to ensure long-term stability. This work makes an original contribu tion to the understanding and modelling of perovskite-based solar cells by establishing a direct correlation between fundamental carrier physics, analytical modelling and numeri cal simulation. The results obtained pave the way for the rational design of more efficient, stable and industrialisable photovoltaic devices, actively contributing to the advent of a new generation of sustainable solar technologies.