Topic: Electronic State Engineering in Electrocatalysts

In the field of electrocatalytic energy conversion, precise regulation of the electronic structure of catalysts plays a decisive role in determining catalytic activity, selectivity, and stability. This Special Issue highlights recent advances in electronic-state modulation for next-generation catalyst design in the field of energy. Topics of interest include d-/f-orbital tuning, defect and strain engineering, interfacial charge redistribution, and electronic coupling effects in single-atom and low-dimensional materials. Emphasis is placed on integrating in situ/operando characterization with theoretical calculations to unravel how electronic structures govern adsorption and activation of reaction intermediates, as well as overall reaction energetics.

This Special Issue welcomes research findings covering hydrogen evolution, oxygen evolution, oxygen reduction, CO₂ reduction, nitrogen conversion, and organic electrosynthesis for energy. By linking electronic structure engineering with catalytic performance optimization, this collection aims to advance rational, electronic-state–guided catalyst design and promote efficient and sustainable energy conversion technologies.

Electronic state engineering, electrocatalysis, electronic structure modulation, in situ/operando characterization, defect engineering, energy conversion reactions, hydrogen production, CO₂ capture, ammonia fuel, biofuel