Mixed cations tin-germanium perovskite: A promising approach for enhanced solar cell applications

Significant progress has been made over the years to improve the stability and efficiency of rapidly evolving tin-based perovskite solar cells (PSCs). One powerful approach to enhance the performance of these PSCs is through compositional engineering techniques, specifically by incorporating a mixed cation system at the A-site and B-site structure of the tin perovskite. These approaches will pave the way for unlocking the full potential of tin-based PSCs. Therefore, in this study, a theoretical investigation of mixed A-cations (FA, MA, EA, Cs) with a tin-germanium-based PSC was presented. The crystal structure distortion and optoelectronic properties were estimated. SCAPS 1-D simulations were employed to predict the photovoltaic performance of the optimized tin-germanium material using different electron transport layers (ETLs), hole transport layers (HTLs), active layer thicknesses, and cell temperatures. Our findings reveal that EA_0.5Cs_0.5Sn_0.5Ge_0.5I₃ has a nearly cubic structure (t = 0.99) and a theoretical bandgap within the maximum Shockley-Queisser limit (1.34 eV). The overall cell performance is also improved by optimizing the perovskite layer thickness to 1200 nm, and it exhibits remarkable stability as the temperature increases. The short-circuit current density (J_sc) remains consistent around 33.7 mA/cm², and the open-circuit voltage (V_oc) is well-maintained above 1 V by utilizing FTO as the conductive layer, ZnO as the ETL, Cu₂O as the HTL, and Au as the metal back contact. This configuration also achieves a high fill factor ranging from 87 % to 88 %, with the highest power conversion efficiency (PCE) of 31.49 % at 293 K. This research contributes to the advancement of tin-germanium perovskite materials for a wide range of optoelectronic applications.