Doping-Induced piezoelectricity in Ba2Nb2-xFexO6-δ double perovskite oxides for efficient hydrogen peroxide production via piezocatalysis in pure water

Piezocatalysis has emerged as a sustainable alternative for hydrogen peroxide production. However, the current development of efficient piezocatalysts is predominantly focusing on those conventional piezoelectric ceramic oxides with high permittivity and limited catalytic activities. Therefore, innovative approaches to develop novel piezocatalysts in particular from these outstanding paraelectric semiconductors are highly required. In this work, by employing a feasible doping strategy, robust piezoelectric property is created on the Ba 2 Nb 2-x Fe x O 6-δ double perovskite oxides, typically characterized by a stable paraelectric cubic structure. Optimum Fe doping not only intensifies the double perovskite phase but also inspires a phase transition from a centrosymmetric cubic to a piezoelectric tetragonal phase, thereby achieving desirable piezoelectricity and enabling a series of favorable physical properties including redox activity, active sites of anion defects, reduced bandgap, and increased free charge density. All these are important factors to enhance piezocatalytic activity. As a result, Ba 2 NbFeO 6-δ achieved by the optimum Fe doping demonstrated exceptional piezocatalytic H 2 O 2 yield of 512 and 690 µmol g -1 h −1 under atmosphere and oxygen-purging conditions, respectively, without the presence of any sacrificial agents. Mechanistic investigations reveal that both water oxidation and oxygen reduction involve in the H 2 O 2 production, wherein piezopotential plays a critical role not only in facilitating the charge carrier separation and transportation but also in modulating the band structure to enhance the catalyst redox capacity. This study offers a feasible and universal strategy for the design of novel piezocatalysts, expanding the windows for catalyst selection for piezocatalysis.