Quantifying the multifaceted influence of HTLs on the photovoltaic performance of inorganic Cs₂TiBr₆ solar cells: an OghmaNano numerical investigation

In this study, an environmentally friendly, stable Cs₂TiBr₆ perovskite solar cell (PSC) with two device configurations FTO/TiO₂/Cs₂TiBr₆/Cu₂O/Au and FTO/TiO₂/Cs₂TiBr₆/MoO₃/Au have been simulated using OghmaNano software. Two-hole transport layers (HTLs) have been used to do a comparative study. Cuprous Oxide (Cu₂O) and Molybdenum Oxide (MoO₃) are inorganic HTLs with bandgaps of 2.17 eV and 3 eV, respectively that are plentiful, non-toxic, and ideal for band matching. The study aims to optimize the PSCs performance by using inorganic MoO₃ and Cu₂O as HTL to replace the traditionally organic HTL. Key parameters like thickness, electron mobility, and recombination rate constant have been optimized to yield maximum efficiency. The outcomes show that Cu₂O-HTL demonstrated superior performance with an optimal structure, resulting in a high efficiency of 21% and an improved fill factor (FF) of up to 86.52%. These findings suggest that Cs₂TiBr₆-based PSCs could significantly impact future photovoltaic research.