Performance optimization of lead-free potassium germanium halide based perovskite solar cells: A numerical study

Conventional lead-halide perovskite solar cells (PSCs) have great potential as top contenders for commercial utilization due to their impressive performance. Nevertheless, the stability issues and undue toxicity have limited their widespread use. Consequently, lead-free germanium-based PSCs have materialized as potential substitutes due to their high working efficiency and exceptional sustainability. The current study has examined various configurations of non-toxic inorganic potassium germanium trichloride (KGeCl3) based PSC structure by using different Hole Transport Layers (HTL) and Electron Transport Layers (ETLs) respectively. This work proposes an efficient Ge-based PSC (structure; FTO/MoO3/KGeCl3/WS2/Au), which has been optimized theoretically using SCAPS-1D. The influence of the material parameters, such as the thickness of the absorber layer (nm), donor density (Nd), acceptor density (Na), absorber defect density(Nt), interface layer defect density (IL1& IL2), series resistance (Rs) and shunt resistance (Rsh), and working temperature (K), has been optimized. The open circuit voltage (Voc), current density (Jsc), fill factor (FF), and power conversion efficiency (PCE) of KGeCl3-based PSC have all been commendably optimized. The results indicated WS2 as the most effective ETL for KGeCl3 with MoO3 as an HTL, yielding notable cell performance with Voc of 0.88 V, Jsc of 41.45 mA/cm2, FF of 81.76 %, and PCE of 29.83 %. The outcomes of this simulation study suggest the utilization of KGeCl3 as the absorber layer, in conjunction with WS2 and MoO3 as advanced ETL and HTL layers, which pays the way for continued development and optimization of Ge-based PSCs for potential applications.