An in-depth investigation of lead-free KGeCl perovskite solar cells employing optoelectronic, thermomechanical, and photovoltaic properties: DFT and SCAPS-1D frameworks.

Potassium germanium chloride (KGeCl) has emerged as a promising contender for use as an absorber material for lead-free perovskite solar cells (PSCs), offering significant potential in this domain. In this study, we conducted a density functional theory (DFT) investigation to analyze and assess the structural, electronic, thermomechanical, and optical characteristics of the cubic KGeCl absorber. The positive phonon dispersion curve confirmed the dynamical stability of KGeCl.