A Selective Targeting Anchor Strategy Affords Efficient and Stable Ideal-Bandgap Perovskite Solar Cells.

Liang, Zheng; Xu, Huifen; Zhang, Yong; Liu, Guozhen; Chu, Shenglong; Tao, Yuli; Xu, Xiaoxiao; Xu, Shendong et al. · Adv Mater · 2022

basic_science · Level V

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Abstract

Mixed lead-tin perovskite solar cells (LTPSCs) with an ideal bandgap are demonstrated as a promising candidate to reach higher power conversion efficiency (PCE) than their Pb-counterparts. Herein, a Br-free mixed lead-tin perovskite material, FA<sub>0.8</sub> MA<sub>0.2</sub> Pb<sub>0.8</sub> Sn<sub>0.2</sub> I<sub>3</sub> , with a bandgap of 1.33 eV, as a perovskite absorber, is selected. Through density functional theory calculations and optoelectronic techniques, it is demonstrated that both Pb- and Sn-related A-site vacancies are pushed into deeper energetic depth, causing severe nonradiative recombination. Hence, a selective targeting anchor strategy that employs phenethylammonium iodide and ethylenediamine diiodide as co-modifiers to selectively anchor with Pb- and Sn-related active sites and passivate bimetallic traps, respectively, is established. Furthermore, the selectivity of the molecular oriented anchor passivation is demonstrated through energetic depth specificity of Pb- and Sn-related traps. As a result, a substantially enhanced open-circuit voltage (V<sub>OC</sub> ) from 0.79 to 0.90 V for the LTPSCs is achieved, yielding a champion PCE of 22.51%, which is the highest PCE among the reported ideal-bandgap PSCs. The V<sub>OC</sub> loss is reduced to 0.43 V.