Abstract
Piezoelectric materials usually exist in solid-state forms with obscure structures, hindering atomic-level understanding of structure-property relationships. Here, we report the piezoelectric high-nuclearity titanium-oxide molecular cluster, Ti(26)Pb(10), constructed via a dopant metal coordination strategy. The cluster framework comprises 26 Ti atoms linked by binuclear units, with 10 Pb(2+) ions anchored through distinct coordination: 2 embedded and 8 surface exposed. Ti(26)Pb(10) displays a piezoelectric constant 5.5 times higher than PbTiO(3), as confirmed by piezoresponse force microscopy. Density functional theory simulations reveal stress-induced lattice distortion and bandgap shifts. Critically, leveraging piezo-photocatalytic synergy, Ti(26)Pb(10) enables ultraefficient tetracycline degradation, achieving a rate 15 times faster than PbTiO(3) under combined light and ultrasound, with a superior synergy factor. Mechanistic studies indicate that local electric fields coupled with light excitation promote (1)O(2) generation. This work extends titanium-oxide clusters into piezo-photocatalysis and provides a rational design paradigm for multifield synergistic catalysis and atomic-level structure-activity insights.