Advances in spinel-type electrocatalysts: Leveraging ligand field theory to elucidate structure-property relationships

IF 8.4 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics Pub Date : 2025-02-21 DOI:10.1016/j.jmat.2025.101031

Xin Li , Zongkui Kou , Jiayan Dai , Hao Sun , John Wang , Shiyou Zheng

{"title":"Advances in spinel-type electrocatalysts: Leveraging ligand field theory to elucidate structure-property relationships","authors":"Xin Li , Zongkui Kou , Jiayan Dai , Hao Sun , John Wang , Shiyou Zheng","doi":"10.1016/j.jmat.2025.101031","DOIUrl":null,"url":null,"abstract":"<div><div>Spinels have been widely concerned as a promising class of electrocatalysts due to their appealing catalytic properties and the tunability of their compositions and structures. Ligand field theory (LFT), which describes the origins and the consequences of metal-ligand interactions, offers crucial insights for the design of spinel-type electrocatalysts. In this review, we timely summarize the research progress of spinel electrocatalysts that leverage LFT for structure-property insights, providing a pioneering perspective in this field. This review explores how LFT plays a pivotal role in optimizing the electrocatalytic properties of spinels. It covers important aspects such as identifying the origin of the catalytic properties, tuning the number of active sites, manipulating the e<sub>g</sub>-filling and the spin state of metal cations, and modulating the 2p band of ligands. We anticipate that this review will provide valuable theoretical guidance and inspire creative spinel designs that excel in electrocatalytic applications.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 5","pages":"Article 101031"},"PeriodicalIF":8.4000,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Materiomics","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2352847825000218","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Spinels have been widely concerned as a promising class of electrocatalysts due to their appealing catalytic properties and the tunability of their compositions and structures. Ligand field theory (LFT), which describes the origins and the consequences of metal-ligand interactions, offers crucial insights for the design of spinel-type electrocatalysts. In this review, we timely summarize the research progress of spinel electrocatalysts that leverage LFT for structure-property insights, providing a pioneering perspective in this field. This review explores how LFT plays a pivotal role in optimizing the electrocatalytic properties of spinels. It covers important aspects such as identifying the origin of the catalytic properties, tuning the number of active sites, manipulating the e_g-filling and the spin state of metal cations, and modulating the 2p band of ligands. We anticipate that this review will provide valuable theoretical guidance and inspire creative spinel designs that excel in electrocatalytic applications.

Abstract Image

查看原文本刊更多论文

尖晶石型电催化剂的研究进展：利用配体场理论阐明结构-性能关系

尖晶石由于其具有良好的催化性能和结构可调性而成为一种极具发展前景的电催化剂。配体场理论（LFT）描述了金属-配体相互作用的起源和结果，为尖晶石型电催化剂的设计提供了重要的见解。本文及时总结了利用LFT的尖晶石电催化剂的研究进展，为该领域的研究提供了一个开创性的视角。本文综述了LFT在优化尖晶石电催化性能中的重要作用。它涵盖了重要的方面，如识别催化性质的起源，调整活性位点的数量，操纵鸡蛋填充和金属阳离子的自旋状态，以及调制配体的2p波段。我们期待这一综述能够提供有价值的理论指导和启发创造性的尖晶石设计在电催化应用中脱颖而出。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Materiomics Materials Science-Metals and Alloys

CiteScore

14.30

自引率

6.40%

发文量

331

审稿时长

37 days

期刊介绍： The Journal of Materiomics is a peer-reviewed open-access journal that aims to serve as a forum for the continuous dissemination of research within the field of materials science. It particularly emphasizes systematic studies on the relationships between composition, processing, structure, property, and performance of advanced materials. The journal is supported by the Chinese Ceramic Society and is indexed in SCIE and Scopus. It is commonly referred to as J Materiomics.