High-Entropy Alloys in Catalysis: Progress, Challenges, and Prospects.

Autor:	Sun L; School of Chemical Engineering, The University of Adelaide, Adelaide 5000, Australia., Wen K; School of Chemical Engineering, The University of Adelaide, Adelaide 5000, Australia., Li G; School of Chemical Engineering, The University of Adelaide, Adelaide 5000, Australia., Zhang X; School of Chemical Engineering, The University of Adelaide, Adelaide 5000, Australia., Zeng X; Institute of Surface Science, Helmholtz-Zentrum Hereon, Max-Planck-Str. 1, 21502 Geesthacht, Germany., Johannessen B; Australian Synchrotron, ANSTO, Clayton VIC 3168, Australia.; Institute for Superconducting & Electronic Materials, University of Wollongong, Wollongong, New South Wales 2500, Australia., Zhang S; School of Chemical Engineering, The University of Adelaide, Adelaide 5000, Australia.
Jazyk:	angličtina
Zdroj:	ACS materials Au [ACS Mater Au] 2024 Sep 29; Vol. 4 (6), pp. 547-556. Date of Electronic Publication: 2024 Sep 29 (Print Publication: 2024).
DOI:	10.1021/acsmaterialsau.4c00080
Abstrakt:	High-entropy alloys (HEAs) have become pivotal materials in the field of catalysis, offering unique advantages due to their diverse elemental compositions and complex atomic structures. Recent advances in computational techniques, particularly density functional theory (DFT) and machine learning (ML), have significantly enhanced our understanding and design of HEAs for use in catalysis. These innovative atomistic simulations shed light on the properties of HEAs, enabling the discovery and optimization of catalysis materials for solid-solution structures. This Perspective discusses recent studies that illustrate the progress of HEAs in catalysis. It offers an overview of the properties, constraints, and prospects of HEAs, emphasizing their roles in catalysis to enhance catalytic activity and selectivity. The discussion underscores the capabilities of HEAs as multifunctional catalysts with stable structures. The presented insights aim to inspire future computational and experimental efforts to address the challenges in fine-tuning HEAs properties for improved catalytic performance. Competing Interests: The authors declare no competing financial interest. (© 2024 The Authors. Published by American Chemical Society.)
Databáze:	MEDLINE
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