Design a highly efficient lead-free organic tin halide perovskite solar cells using nickel oxide as the hole transport layer

Abstract

The work asserts the theoretical study of lead-free perovskite (PVK) solar cells (PSCs) by inorganic oxides as hole transport layer (HTL), with a primary focus on nickel oxide (NiO) under the AM 1.5G spectrum. To comprehend the drift-diffusion phenomenon of the PSC and a clear insight into the best device structure, NiO reveals the extreme bandgap (Eg) alignment and barrier height of the HTLs. The report highlights a high short-circuit current density (JSC) of 32.56 mA/cm2, an fill factor (FF) of 79.55%, an open-circuit voltage (VOC) of 1.15 V, and an excellent power conversion efficiency (PCE) of 29.78% for NiO as HTL for an optimized PVK thickness of 400 nm at about 1 × 1012 cm−3 defect density. Achieving higher external quantum efficiency (EQE) of nearly 90% in the wavelength range of 300–780 nm is the foremost objective of this analysis. The device provides a real impedance of 0.24 Ωcm−2 and an imaginary impedance of −1 Ωcm−2 along with a positive capacitance value of 2.75 × 10−17 Fcm−2 at 1.15 V to adequately escalate the device's reliability and stability. Hence, the design of a most promising PSC of AZO/SnO2/MASnI3/NiO/Ag configurations with the potential to govern the device performance roadmap and the credibility to fabricate a highly effective hybrid PSC.