Advances in anion exchange membrane ion transport channels for hydrogen production from electrolytic water: Performance optimization and transport mechanisms

Hydrogen energy is emerging as a promising carbon-neutral carrier. Anion exchange membrane water electrolysis (AEMWE) represents a next-generation solution combining the advantages of alkaline water electrolysis (AWE) and proton exchange membrane (PEM) electrolyzers. Anion exchange membranes (AEMs) play a crucial role by providing both high hydroxide conductivity and resistance to gas crossover, enabling cost-effective green hydrogen production. However, challenges remain in achieving optimal alkaline stability and ionic conductivity (σ). To address these challenges, recent research has focused on optimizing the molecular structures to construct efficient ion nanochannels. Here, we examined the microscopic molecular composition and macroscopic properties of membranes, particularly in relation to modified ion transport channels, and proposed molecular structure modulation strategies to enhance both alkaline stability and σ. Additionally, this perspective highlighted the critical role of membrane microstructure-property relationships and introduced a molecular dynamics (MD)-guided approach to elucidate ion transport mechanisms in engineered nanochannels. We systematically explored MD models for the first time to provide deeper insights into these mechanisms. Furthermore, integrating MD with artificial intelligence and neural networks is necessary and urgent to drive the future development of novel technologies. Notably, Ion channel engineering strategies and mechanistic insights presented in this study demonstrate transformative potential for advancing AEMs in electrolytic hydrogen production. By achieving precise control of ion selectivity and permeability, these AEMs innovations directly enhance the energy efficiency of water electrolysis systems. • The principles and composition of AEMs are presented. • Summarizes the macroscopic properties and key performance enhancements of AEMs transport channel. • Introduction to the ion mass transfer mechanism of AEMWEs. • The first systematic generalization of ion channel simulation.