Improved structural configuration on the MAPbI₃ perovskite surface through the integration of 2-amino benzothiazole for durable and effective photovoltaic device

Abstract The organic-inorganic hybrid MAPbI 3 perovskite material has remarkable optoelectronic properties for excellent device performance. However, the poor long-term stability of MAPbI 3 perovskite in light, heat, and humid environments is a major obstacle to commercialization. Degradation of MAPbI 3 and an impairment in non-radiative charge recombination, a major impediment to increasing the stability and efficiency of photovoltaic devices, are made possible by the trap state and surface imperfections between the perovskite and electron transport layer interfaces. Here, the surface defect was healed by 2-amino benzothiazole (2-ABT) (Lewis’s base) by activating the heteroatoms of S and N and the amine functional group for defect passivation. In the context of defect passivation, a systematic investigation is conducted on the formation of hydrogen bonds between N–H–I or the coordination between uncoordinated Pb 2+ and heteroatoms of S and N. The investigations have been done into the optoelectronic properties, chemical interaction, structure, crystal orientation, morphology, and photovoltaic performance characteristics of MAPbI 3 in association with 2-amino benzothiazole surface integration. A high photovoltaic efficiency of 21.5% with improved open circuit voltage ( V oc ) and fill factor was demonstrated with the optimum concentration of passivating material (2 mg ml −1 IPA) than the pristine MAPbI 3 PCE of 19.4%. As demonstrated by stability studies, the 2-ABT integrated device outscored the pristine MAPbI 3 device, retaining 87% of its PCE after 500 h.