Data from: Evaluating the influence of novel charge transport materials on the photovoltaic properties of MASnI3 solar cells

In recent decades, substantial advancements have been made in photovoltaic
technologies, leading to impressive power conversion efficiencies
exceeding 25% in perovskite solar cells (PSCs). Tin-based perovskite
materials, characterized by their low band gap (1.3 eV), exceptional
optical absorption, and high carrier mobility, have emerged as promising
absorber layers in PSCs. Achieving high performance and stability in PSCs
critically depends on the careful selection of suitable charge transport
layers (CTLs). This research investigates the effects of five copper-based
hole transport materials and two carbon-based electron transport materials
in combination with methyl ammonium tin iodide (MASnI3). The carbon-based
CTLs exhibit excellent thermal conductivity and mechanical strength, while
the copper-based CTLs demonstrate high electrical conductivity. The study
comprehensively analyzes the influence of these CTLs on PSC performance,
including band alignment, quantum efficiency, thickness, doping
concentration, defects, and thermal stability. Furthermore, a comparative
analysis is conducted on PSC structures employing both p-i-n and n-i-p
configurations. The highest-performing PSCs are observed in the inverted
structures of CuSCN/MASnI3/C60 and CuAlO2/MASnI3/C60, achieving power
conversion efficiencies (PCE) of 23.48% and 25.18%, respectively. Notably,
the planar structures of Cu2O/MASnI3/C60 and CuSbS2/MASnI3/C60 also
exhibit substantial PCE, reaching 20.67% and 20.70%, respectively.