Structural modification and analysis of novel inverted perovskite photo-voltaic device by incorporating atomic layer deposition and surface passivation

Perovskite solar cells are now sporting a higher efficiency in an unprecedented manner within a brief time frame, and hence the researchers focus more on its possibilities in large scale production and thereby commercialization. The toxicity of lead, problems with impairment, and the instability of the organic ions in the perovskite light absorbers have been recognized as the primary barriers to the development and commercialization of photovoltaic systems using perovskite materials. Studies show that the application of potential inorganic charge transport materials along with promising halide-based double perovskite absorbing materials like Cs2TiBr6 in the various layers of tandem solar cells helps to increase charge extraction, transport, and collection and hence provides long-term operational stability along with better charge mobility. Growing high-quality, conformal, reproducible thin films of inorganic materials via atomic layer deposition is an effective technique to attain the benefit of fine, and precise control of material characteristics and layer thickness, including doping, morphology, and stoichiometry. In this work, we developed, through numerical simulations, a novel inverted non-lead double perovskite photovoltaic device structure with the integration of all inorganic layer elements by Atomic Layer Deposition, that has resulted in an efficiency of 16.81 %, and is significantly higher compared to the formerly published efficiency of power conversion of the same inverted lead-free solar cell without passivation and buffer layers. With the advantages of lower temperature processing, flexibility, and negligible JV-hysteresis issues, the novel perovskite photovoltaic device has demonstrated an 81.18 % of fill-factor and 1.56 V of open-circuit voltage.