Optimization of short-circuit current density for tailored active region in BiFeO3 layer: a computational step into 3rd generation perovskite solar cells

Abstract

The global energy crisis has intensified the search for sustainable and clean energy alternatives, with solar energy emerging as a promising solution. The global energy crisis has intensified the search for sustainable and clean energy alternatives, with solar energy emerging as a promising solution. This study investigates the performance of BiFeO₃ (BFO)-based perovskite solar cells using COMSOL Multiphysics simulations, focusing on the optimization of layer thicknesses and material properties. The results demonstrate that varying the thickness of the electron transport layer, absorber layer (BFO), and hole transport layer significantly impacts the short-circuit current density (J _sc), open-circuit voltage (V _oc), and power conversion efficiency. Key findings include an optimal BFO thickness of 1210 nm, which balances light absorption and recombination losses, and a peak efficiency of 11.80% was observed. The study highlights the potential of BFO as a multiferroic absorber layer for high-efficiency, low-cost solar cells, paving the way for advancements in renewable energy technology.

Fig. 1. (a) Flow chart representing the major simulation steps, (b) solar irradiance, (c) solar absorption, (d) electron/hole generation rate and (e) SRH recombination.

Fig. 2. (a) Solar cell configuration, (b) energy band diagram of ZnO/BFO/Spiro-OMeTAD based solar cell, and (c) solar cell layers formation.

Fig. 3. Energy band diagram of a p–n junction in solar cells.

Fig. 4. (a) Schematic illustration of inside working mechanism of photo-induced charge carriers and recombination process, (b) J–V curve, (c) P–V curve of ZnO/BFO/Spiro-OMeTAD solar cell and effect of BFO's thickness variation on (d) J_sc,V_oc,P_max and (e) % FF and % efficiency.

Fig. 5. (a) J–V curve, (b) P–V curve of ZnO/BFO/Spiro-OMeTAD solar cell and effect of ETL's thickness variation on (c) J_sc,V_oc,P_max and (d) % FF, % efficiency.

Fig. 6. (a) J–V curve, (b) P–V curve of ZnO/BFO/Spiro-OMeTAD solar cell and effect of HTL's thickness variation on (c) J_sc,V_oc,P_max and (d) % FF, % efficiency.

Fig. 7. (a) J–V curve, (b) P–V curve of ZnO/BFO/Spiro-OMeTAD solar cell and effect of metal work function variation on (c) J_sc,V_oc,P_max and (d) % FF and % efficiency.

Fig. 8. (a) Schematic illustration of the effect of increased temperature on charge carrier mobility and resistance in the solar cell, (b) J–V curve, (c) P–V curve of ZnO/BFO/Spiro-OMeTAD solar cell and effect of temperature variation on (d) J_sc,V_oc,P_max and (e) % FF and % efficiency.