Piezo-photocatalytic synergetic for H2O2 generation via dual-pathway over Z-scheme ZIF-L/g-C3N4 heterojunction

The constructed ZIF-L/g-C3N4 piezo-photocatalytic system showed exceptional H2O2 production yield. It was primarily attributable to the matched Z-scheme band alignments and the forceful piezoelectric field formed between g-C3N4 and ZIF-L, which was favor of reducing the energy barrier of electron excitation and directional transferring of photo-generated charge carriers. Meanwhile, the composition between ZIF-L and g-C3N4 can alter the H2O2 generation mechanism from single-pathway to dual-pathway. Thus, this mutual promotion significantly elevated the catalytic H2O2 production rate to 1.45 mmol g−1 h−1 without any contaminative scavenger. The catalytically produced H2O2 solution can be used to achieve ultrafast degradation of organic pollutants with 100% efficiency through homogeneous Fenton reaction within tens of seconds. The mediating multi-roles of natural organic matter (NOM) in regulating the H2O2 production were systematically investigated. Finite-element-method (FEM) simulations and density functional theory (DFT) calculations conjointly revealed the constructed piezo-photocatalytic system not only markedly accelerated separation of charge carriers, but also facilitated the activation of vital intermediates (O2⁎, OOH⁎ and ⁎OH) for H2O2 synthesis, which were the rate-determining steps for oxygen reduction reaction (ORR) and water oxidation reaction (WOR). This study will provoke the rational design of MOFs-based dual-pathway materials for piezo-photocatalytic H2O2 generation and follow-up applications.