Solar-mechanical H<sub>2</sub>O<sub>2</sub> production powered by defect dipole polarization in a nonpolar semiconductor.

Chen, Cheng; Ni, Junjie; Wang, Peifang; Gu, Kaiye; Yan, Shicheng; Ao, Yanhui · Sci Adv · 2026

basic_science · Level V

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Abstract

Piezo-photocatalytic H<sub>2</sub>O<sub>2</sub> production faces a central challenge: inadequate visible-light absorption and insufficient driving forces for charge separation, especially in wide-bandgap nonpolar semiconductors. To address this, we propose a strategy that constructs Cu<sup>+</sup>-oxygen vacancy defect dipoles within nonpolar ZrO<sub>2</sub> to enable piezo-photo coupling. Under ultrasonic excitation, these defect dipoles produce a robust piezoelectric polarization field that facilitates directional separation of photogenerated carriers. As a result, charge recombination at visible-light-absorbing defect states is effectively suppressed, enabling synergistic utilization of mechanical and optical energy. The optimized catalyst exhibits a remarkable H<sub>2</sub>O<sub>2</sub> production rate of 415.36 μmol·g<sup>-1</sup>·hour<sup>-1</sup> under ambient air/water conditions and achieves near-complete degradation (88.7%) of rhodamine B in continuous-flow wastewater treatment (1 liter within 60 min). Theoretical calculations further reveal that the defect dipoles lower the d-band center of the active sites, thereby promoting *OH desorption and accelerating H<sub>2</sub>O<sub>2</sub> formation kinetics. This study offers a viable strategy for inducing piezoelectricity in nonpolar semiconductors, thereby establishing design principles for high-performance piezo-photocatalytic systems.