Advanced Nanomaterials for Catalytic Hydrogen Production and Conversion

The global transition toward net-zero emissions calls for scalable and carbon-free hydrogen production technologies that can be seamlessly integrated into existing energy infrastructures. Among the growing number of clean hydrogen approaches, electrocatalytic water splitting and biomass-to-hydrogen conversion hold great promise for achieving sustainable energy cycles. However, their large-scale application remains limited by the modest activity, scarcity, and inadequate stability of currently available catalysts. Overcoming these challenges through atomic-level design and nanoscale control is key to realizing cost-effective and high-efficiency hydrogen energy systems.Nanomaterials offer unique advantages for catalytic hydrogen production due to their tunable surface structures, high specific surface areas, and quantum confinement effects, which collectively improve reaction kinetics and reduce reliance on scarce precious metals. Notable progress has been achieved with atomically precise alloy nanoparticles, single-atom and cluster catalysts, defect-engineered carbon materials, and porous frameworks such as metal–organic frameworks (MOFs). These systems have delivered remarkable performance in hydrogen and oxygen evolution reactions (HER and OER), as well as in overall water splitting. Yet, deeper understanding of catalytic mechanisms and active-site dynamics under realistic operating conditions remains limited. Particular interest will be given to studies employing advanced operando and in situ characterization techniques to elucidate catalytic mechanisms and active-site evolution.This Research Topic aims to highlight recent progress and future directions in the design, characterization, and mechanistic understanding of nanomaterials for catalytic hydrogen production and conversion. Emphasis will be placed on works that integrate experimental observation, theoretical modeling, and data-driven approaches to uncover structure–activity relationships at the atomic level. We welcome Original Research Articles, Reviews, and Mini Reviews covering, but not limited to, the following themes:• Electrocatalytic hydrogen evolution (HER) and oxygen evolution (OER) over nanostructured catalysts• Overall water splitting using metal, alloy, and heterostructured nanomaterials• Biomass-derived feedstock reforming and biomass-to-hydrogen conversion pathways• Atomically precise catalyst design (single-atom and cluster catalysts, defect-engineered nanomaterials)• Operando and in situ characterization (e.g., synchrotron XAS, environmental TEM, in situ Raman, infrared spectroscopy) for understanding active-site evolution• Computational and mechanistic studies (e.g., DFT, ab initio molecular dynamics, or machine learning-driven screening) connecting atomic structure and catalytic function Topic editors: Xinchun Yang, Haixin Guo, Zakir Ullah, Quan Zhang Source: https://www.frontiersin.org/research-topics/82156/advanced-nanomaterials-for-catalytic-hydrogen-production-and-conversion