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 the hydrogen evolution reaction (HER) and advanced oxidation processes (AOPs). The d-band center (ε_d) is a critical descriptor governing the catalytic performance in both domains. Modulating ε_d in transition metals can optimize the adsorption strength of the intermediates and electron transfer, consequently enhancing the catalytic activities of the HER and AOPs. Although extensive research has optimized the catalysts via ε_d modulation for HER and AOPs applications, systematic reviews of ε_d 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 ε_d 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 ε_d are introduced. Subsequently, a synopsis of the recent advancements in ε_d 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 ε_d modulation in HER and AOPs applications and guide the design route for highly efficient HER and AOPs catalysts.