Lattice Strain and Piezoelectric Field Modulated Piezo‐Photocatalytic Nitrate‐to‐Ammonia Conversion in Chemically Bonded S‐Scheme Heterojunction

Abstract Piezo‐photocatalysis provides an efficient approach to harness mechanical and solar energy simultaneously for chemical conversion. However, prior studies predominantly focus on piezoelectric fields, while ignoring the influence of lattice strain induced by mechanical stimulations in the piezo‐photocatalytic process. Herein, a ZnO@ZnSe S‐scheme heterojunction is constructed by in situ growth of an ultrathin ZnSe shell on piezoelectric ZnO nanorods for piezo‐photocatalytic nitrate‐to‐ammonia. Such a piezo‐photoelectric heterojunction is designed to exploit the lattice strain and piezoelectric effect in parallel. Under ultrasound irradiation, the coherent lattice strain induced by O─Zn─Se interfacial chemical bonds regulates the active‐site Zn and Se atoms in the ZnSe shell, accelerating the dissociation of H 2 O molecules at Zn atoms and optimizing the thermodynamic process of nitrate‐to‐ammonia at Se atoms. Meanwhile, the piezoelectric field in ZnO modulates the band structure of ZnO@ZnSe heterojunction, enabling sustained charge carrier separation. Benefiting from the synergistic effects, the ZnO@ZnSe catalyst achieved an ammonia yield of 2.88 mmol g −1 h −1 and a high selectivity of 92.86% in the piezo‐photocatalytic nitrate‐to‐ammonia process. This work reveals, for the first time, the synergy between the piezoelectric field and lattice strain in piezo‐photocatalysis, paving the way for designing advanced catalytic systems based on a novel principle.