Proton Conduction over the Zeolite with Surface Water Cluster for the Water Electrolysis at Neutral Condition

Abstract Electrolytic hydrogen production from water at neutral pH was achieved by using novel proton (H + ) conduction system assisted by zeolite. Experimental and computational insights demonstrated that defective silanol nest generated by dealumination played an important role in the formation of water clusters and the H + conduction over the zeolites proceeded via exchange of H‐bonding between water molecules in the cluster. In addition, a proper balance between hydrophilicity and hydrophobicity is required for effective H + conduction and silanol nest afford the balance. Furthermore, the contribution of hydrophilicity of the zeolite for the adsorption of water molecules became more drastic at high temperatures. Water electrolysis efficiency was strongly dependent on the H + conductivity over the beta‐type zeolite. The electrolytic cell containing the zeolite has the potential to be applied to the new hydrogen production system.