Vol. 11, Issue 10, Part C (2025)

Abstract
The avenue of development in catalytic sciences with multielement synergy, tunable electronic structures, and entropy-driven stability is represented by high-entropy alloy nanoparticles (HEA-NPs), which may be viewed as beyond the conventional mono- and bimetallic catalysts to synergize. While a theoretical study, this work attempts to present a chemistry-based approach for HEA-NP design and discuss their potential roles in sustainable catalytic reactions such as HER, OER, and CO₂RR. Using logical stepwise mechanistic reasoning, schematic representations, and conceptual energy profiles, the present work shows how HEAs can mitigate adverse adsorption-desorption energetics, reduce overpotentials, and yield excellent stability under reaction conditions. Anticipated results would be enhanced activity and stability coupled with the possibility of being amenable to widely different reaction types, thus qualifying HEAs as potential candidates in energy and environmental applications. While some restrictions remain imposed owing to the lack of experimental verification, the framework presented here paves the way for experimentalists for investigation in the near future and highlights the need for an integration.