Precise Regulation of D‐Band Centers Inducing to High‐Efficiency Dual‐Channel Piezocatalytic H 2 O 2 Production

Abstract Piezocatalysis is a promising and eco‐friendly technology for hydrogen peroxide (H 2 O 2 ) synthesis; however, its efficiency is limited by the limited active sites and slow kinetics. Herein, a novel strategy is reported that achieves spatial separation of oxidation/reduction sites by precisely tuning the d ‐band center, enabling efficient H 2 O 2 production via dual‐channel path. Results illustrate that carbon shell engineering induces an upshift in the d ‐band center of CdS (C@CdS), which optimizes the adsorption free energy of key intermediates ( * OOH) and consequently reduces the energy barrier of H 2 O 2 formation by two‐electron oxygen reduction reaction (2e − ORR). Additionally, the carbon shell not only enhances piezoelectric response and strain‐mediated charge separation, but also provides oxidation sites facilitating H 2 O 2 generation through water oxidation reaction (WOR). The optimized catalyst (C 0.01 @CdS) demonstrates outstanding performance, attaining a remarkable H 2 O 2 production rate of 1481.4 µmol g −1 h −1 in a pure water/air system. Moreover, C 0.01 @CdS demonstrates superior degradation efficiency for persistent micropollutants under stirred conditions (1000 rpm) when incorporated into the composite membrane (C 0.01 @CdS/PVDF). This work pioneers a green route for efficient piezocatalytic H 2 O 2 synthesis while establishing a dual‐functional platform for effective pollutant remediation.