Unlike conventional single-atom catalysts (SACs), ferroelectric materials provide a novel approach to controlling catalytic activity through ferroelectric polarization switching. Herein, utilizing ab initio calculations, we investigated the effect of the polarization switching on the catalytic activities of oxygen reduction (ORR) and oxygen evolution reactions (OER) in ferroelectric SACs with transition-metal atoms anchored on the ferroelectric In 2 Se 3 monolayer. The polarization switching not only enables effective control of the reaction overpotentials but also the corresponding potential ...
