Multidentate Chelation Achieves Bilateral Passivation toward Efficient and Stable Perovskite Solar Cells with Minimized Energy Losses.

Yang, Haichao; Li, Ru; Gong, Shaokuan; Wang, Huaxin; Qaid, Saif M H; Zhou, Qian; Cai, Wensi; Chen, Xihan et al. · Nano Lett · 2023

basic_science · Level V

Where this comes from

Abstract

Defects in the electron transport layer (ETL), perovskite, and buried interface will result in considerable nonradiative recombination. Here, a bottom-up bilateral modification strategy is proposed by incorporating arsenazo III (AA), a chromogenic agent for metal ions, to regulate SnO<sub>2</sub> nanoparticles. AA can complex with uncoordinated Sn<sup>4+</sup>/Pb<sup>2+</sup> in the form of multidentate chelation. Furthermore, by forming a hydrogen bond with formamidinium (FA), AA can suppress FA<sup>+</sup> defects and regulate crystallization. Multiple chemical bonds between AA and functional layers are established, synergistically preventing the agglomeration of SnO<sub>2</sub> nanoparticles, enhancing carrier transport dynamics, passivating bilateral defects, releasing tensile stress, and promoting the crystallization of perovskite. Ultimately, the AA-optimized power conversion efficiency (PCE) of the methylammonium-free (MA-free) devices (Rb<sub>0.02</sub>(FA<sub>0.95</sub>Cs<sub>0.05</sub>)<sub>0.98</sub>PbI<sub>2.91</sub>Br<sub>0.03</sub>Cl<sub>0.06</sub>) is boosted from 20.88% to 23.17% with a high open-circuit voltage (<i>V</i><sub>OC</sub>) exceeding 1.18 V and ultralow energy losses down to 0.37 eV. In addition, the optimized devices also exhibit superior stability.