Direct Hydrogen Production from Pure Water through Contact-Electro-Catalysis

Abstract

Hydrogen (H₂) energy is regarded as an ultimate clean energy, against the backdrop of increasingly severe energy crises and environmental pollution. However, industrial H₂ production methods remain limited by high costs and low efficiency. While photocatalysis and piezocatalysis offer sustainable alternatives, their practical application is constrained by stringent requirements for photo-responsive materials and crystalline asymmetry. In response to this situation, this study investigates, for the first time, the performance and mechanism of contact-electro-catalysis (CEC) for H₂ generation from pure water using polytetrafluoroethylene (PTFE) as a model catalyst. Under ultrasonic irradiation in an Ar atmosphere, PTFE nanoparticles facilitate stable H₂ production from pure water. By further pre-treatment on PTFE with long-term stirring, a H₂ yield as high as 1286.6 μmol/g/h was obtained with value-added H₂O₂ as the oxidation product (837.9 μmol/g/h). Electron spin resonance (ESR) spectroscopy and density functional theory (DFT) calculations elucidate the complete CEC reaction pathway, revealing that electrons serve as the primary reducing species while hydroxyl radicals (·OH) act as key intermediates in the oxidation process. This work not only provides new insights into sustainable H2 production but also establishes a foundation for the application of CEC in clean energy technologies.