High-entropy materials for electrocatalytic applications: a review of first principles modeling and simulations

High-entropy materials for electrocatalytic applications: a review of first principles modeling and simulations

High-entropy materials, for both complexity in structure and superiority in performance, have been widely confirmed to be one possible kind of advanced electrocatalyst. Significant efforts have been dedicated to modeling the atomic-level details of high-entropy catalysts to improve the viability for...

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Bibliographic Details
Main Authors: Wenyi Huo, Shiqi Wang, F. Javier Dominguez-Gutierrez, Kai Ren, Łukasz Kurpaska, Feng Fang, Stefanos Papanikolaou, Hyoung Seop Kim, Jianqing Jiang
Format: Article
Language:English
Published: Taylor & Francis Group 2023-09-01
Series:Materials Research Letters
Subjects:
High-entropy materials
first principles
modeling
density functional theory
electrocatalysis
Online Access:https://www.tandfonline.com/doi/10.1080/21663831.2023.2224397

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