Investigation of the Effect of Molecules Containing Sulfonamide Moiety Adsorbed on the FAPbI3 Perovskite Surface: A First-Principles Study
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First-principles calculations were conducted to examine the impact of three sulfonamide-containing molecules (H4N2O2S, CH8N4O3S, and C2H2N6O4S) adsorbed on the FAPbI3(001) perovskite surface, aiming to establish a significant positive correlation between the m... ...