Modulation strategies of d-band center for HER and AOPs applications: A comprehensive review

Abstract

Addressing global energy and environmental challenges necessitates efficient catalysts for hydrogen evolution reaction (HER) and advanced oxidation processes (AOPs). The d-band center (εd) is a critical descriptor governing catalytic performance in the both domains. Modulating εd in transition metals can optimize the adsorption strength of intermediates and electron transfer, consequently enhancing the catalytic activities of HER and AOPs. Although extensive researches have optimized the catalysts via εd modulation for HER and AOPs applications, systematic reviews of εd modulation remain scarce.Furthermore, these studies remain confined to individual catalytic domains, while failing to explore synergistic effects between distinct fields. This article comprehensively reviews the recent advances in εd modulation for HER electrocatalysis and AOPs pollutant degradation. Firstly, the requirements for highly efficient catalysts for HER and AOPs applications are emphasized, and then the theoretical foundations and modulation strategies of εd are introduced. Subsequently, a synopsis of the recent advancements in εd modulation for enhancing the catalytic activities is addressed. Finally, an outlook on future challenges and prospects is presented. This work will provide a comprehensive overview of the role of εd modulation in HER and AOPs applications and guide the design route for highly efficient HER and AOPs catalysts.