Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect

Huamei Li , Mengyuan Li , Lingling Liao , Han Yang , Kun Xiang , Guoqiang Luo , Mingjiang Xie
{"title":"Boosting oxygen evolution of LiCoO2 electrocatalysts via lithium defect","authors":"Huamei Li ,&nbsp;Mengyuan Li ,&nbsp;Lingling Liao ,&nbsp;Han Yang ,&nbsp;Kun Xiang ,&nbsp;Guoqiang Luo ,&nbsp;Mingjiang Xie","doi":"10.1016/j.mtcata.2024.100087","DOIUrl":null,"url":null,"abstract":"<div><div>The challenge of the complex oxygen evolution reaction (OER) currently impedes the efficient production of hydrogen via electrolytic water splitting. To address this issue, the development and improvement of effective electrocatalysts are required. LiCoO<sub>2</sub>, a key material in lithium-ion batteries, has shown promising potential as an electrocatalyst for electrochemical energy conversion. However, OER catalysts derived from LiCoO<sub>2</sub> have faced obstacles such as high overpotential and a complicated preparation process. In this study, the preparation method is adjusted to optimize the synthesis of Li<sub>1-x</sub>CoO<sub>2</sub> with a defective structure, resulting in an impressive overpotential of only 290 mV at a current density of 100 mA cm<sup>−2</sup> and a remarkable Tafel slope of 15.2 mV dec<sup>−1</sup>. The exceptional catalytic activity of Li<sub>1-x</sub>CoO<sub>2</sub> can be attributed to the absence of Li, which triggers oxidative alterations in the electronic structure of Co. Density functional theory (DFT) calculations reveal that Li defects can influence the d-band center of active Co sites, enhancing the adsorption capabilities of Co sites towards *OOH intermediates and increasing the conductivity of the electrocatalyst during the OER process. These alterations improve the velocity of the crucial step in the reaction, ultimately boosting the catalyst's overall performance and efficiency.</div></div>","PeriodicalId":100892,"journal":{"name":"Materials Today Catalysis","volume":"8 ","pages":"Article 100087"},"PeriodicalIF":0.0000,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Today Catalysis","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2949754X24000498","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

The challenge of the complex oxygen evolution reaction (OER) currently impedes the efficient production of hydrogen via electrolytic water splitting. To address this issue, the development and improvement of effective electrocatalysts are required. LiCoO2, a key material in lithium-ion batteries, has shown promising potential as an electrocatalyst for electrochemical energy conversion. However, OER catalysts derived from LiCoO2 have faced obstacles such as high overpotential and a complicated preparation process. In this study, the preparation method is adjusted to optimize the synthesis of Li1-xCoO2 with a defective structure, resulting in an impressive overpotential of only 290 mV at a current density of 100 mA cm−2 and a remarkable Tafel slope of 15.2 mV dec−1. The exceptional catalytic activity of Li1-xCoO2 can be attributed to the absence of Li, which triggers oxidative alterations in the electronic structure of Co. Density functional theory (DFT) calculations reveal that Li defects can influence the d-band center of active Co sites, enhancing the adsorption capabilities of Co sites towards *OOH intermediates and increasing the conductivity of the electrocatalyst during the OER process. These alterations improve the velocity of the crucial step in the reaction, ultimately boosting the catalyst's overall performance and efficiency.
锂缺陷对LiCoO2电催化剂析氧性能的影响
复杂析氧反应(OER)的挑战目前阻碍了通过电解水分解高效生产氢。为了解决这一问题,需要开发和改进有效的电催化剂。LiCoO2是锂离子电池的关键材料,作为电化学能量转换的电催化剂,具有广阔的应用前景。然而,LiCoO2衍生的OER催化剂面临着高过电位和复杂的制备工艺等障碍。在本研究中,通过调整制备方法,优化合成了具有缺陷结构的Li1-xCoO2,在电流密度为100 mA cm−2时,过电位仅为290 mV, Tafel斜率为15.2 mV dec−1。Li1-xCoO2的特殊催化活性可归因于Li的缺失,这引发了Co电子结构的氧化改变。密度泛函理论(DFT)计算表明,Li缺陷可以影响活性Co位的d带中心,增强Co位对*OOH中间体的吸附能力,并在OER过程中提高电催化剂的导电性。这些改变提高了反应中关键步骤的速度,最终提高了催化剂的整体性能和效率。
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
CiteScore
0.40
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信