Stabilizing buried interface by bilateral bond strength equilibrium strategy toward efficient perovskite photovoltaics.

Ding, Jike; Liao, Yunxiao; Liu, Hao; Ding, Yong; Ma, Quanxing; Li, Mengjia; Zhang, Zuoling; Zhang, Jiajia et al. · Nat Commun · 2025

basic_science · Level V

Where this comes from

Abstract

The NiO<sub>x</sub>/perovskite interface in p-i-n inverted perovskite solar cells (PSCs) suffers from trap-assisted nonradiative recombination, chemical reactions and weak adhesion. The self-assembled molecules are usually designed to address the above issues. However, absonant bilateral bond strength with NiO<sub>x</sub> and perovskite hinders the realization of efficient and stable PSCs. Herein, a bilateral bond strength equilibrium strategy is proposed to stabilize the buried interface in inverted PSCs through functional group and spatial conformation engineering. 1-(benzothiaxole-2-ylthio)succnic acid (BTSA) is adsorbed on the surface of NiO<sub>x</sub> through the S atom, π-ring, and N atom in the benzothiazole, making benzothiazole ring parallel to the NiO<sub>x</sub> surface, which is beneficial for passivating bilateral defects and improving hole transport. This strategy leads to effective interfacial defect passivation, interfacial chemical reaction suppression and ameliorated electrical properties of NiO<sub>x</sub> films, enabling 1.53 eV PSCs and large-area module (764 cm<sup>2</sup>) with a PCE of 26.98% (certified 26.65%) and 21.98%, respectively.