维普中文期刊产品整合服务

Strategic design and fabrication of MXenes-Ti_(3)CNCl_(2)@CoS_(2) core-shell nanostructure for high-efficiency hydrogen evolution

查看全文 作　　者：Jizhou [1,3]Jiang;Saishuai [1]Bai;Meiqing [2]Yang;Jing [1]Zou;Neng [4]Li;Jiahe [4]Peng;Haitao [1]Wang;Kun [1]Xiang;Song [5]Liu;Tianyou [6]Zhai 高影响力作者 机构地区：[1]School of Environmental Ecology and Biological Engineering,School of Chemistry and Environmental Engineering,Key Laboratory of Green Chemical Engineering Process of Ministry of Education,Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education,Wuhan Institute of Technology,Wuhan 430205,China;[2]College of Life and Environmental Science,Hunan University of Arts and Science,Changde 415000,China;[3]Key Laboratory of Rare Mineral,Ministry of Natural Resources,Geological Experimental Testing Center of Hubei Province,Wuhan 430034,China;[4]State Key Laboratory of Silicate Materials for Architectures,Wuhan University of Technology,Wuhan 430070,China;[5]Institute of Chemical Biology and Nanomedicine(ICBN),State Key Laboratory of Chemo/Biosensing and Chemometrics,College of Chemistry and Chemical Engineering,Hunan University,Changsha 410082,China;[6]State Key Laboratory of Material Processing and Die&Mould Technology,School of Materials Science and Engineering,Huazhong University of Science and Technology,Wuhan 430074,China高影响力机构 出　　处：《Nano Research》索引2022年第15卷第7期,共10页高影响力期刊 基　　金：supported by the National Natural Science Foundation of China(No.62004143);the Central Government Guided Local Science and Technology Development Special Fund Project(No.2020ZYYD033);the Natural Science Foundation of Hubei Province(No.2021CFB133);the Opening Fund of Key Laboratory of Rare Mineral,Ministry of Natural Resources(No.KLRM-KF 202005);the Opening Fund of Key Laboratory for Green Chemical Process of Ministry of Education of Wuhan Institute of Technology(No.GCP202101);the Innovation Project of Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education(No.LCX2021003). 摘　　要：CoS_(2) is considered to be a promising electrocatalyst for hydrogen evolution reaction(HER).However,its further widespread applications are hampered by the unsatisfactory activity due to relatively high chemisorption energy for hydrogen atom.Herein,theoretical predictions of first-principles calculations reveal that the introduction of a Cl-terminated MXenes-Ti_(3)CNCl_(2) can significantly reduce the HER potential of CoS_(2)-based materials and the Ti_(3)CNCl_(2)@CoS_(2) core–shell nanostructure has Gibbs free energy of hydrogen adsorption(|ΔGH|)close to zero,much lower than that of the pristine CoS_(2) and Ti_(3)CNCl_(2).Inspired by the theoretical predictions,we have successfully fabricated a unique Ti_(3)CNCl_(2)@CoS_(2) core–shell nanostructure by ingeniously coupling CoS_(2) with a Cl-terminated MXenes-Ti_(3)CNCl_(2).Interface-charge transfer between CoS_(2) and Ti_(3)CNCl_(2) results in a higher degree of electronic localization and a formation of chemical bonding.Thus,the Ti_(3)CNCl_(2)@CoS_(2) core–shell nanostructure achieves a significant enhancement in HER activity compared to pristine CoS_(2) and Ti_(3)CNCl_(2).Theoretical calculations further confirm that the partial density of states of CoS_(2) after hybridization becomes more non-localized,and easier to interact with hydrogen ions,thus boosting HER performance.In this work,the success of oriented experimental fabrication of high-efficiency Ti_(3)CNCl_(2)@CoS_(2) electrocatalysts guided by theoretical predictions provides a powerful lead for the further strategic design and fabrication of efficient HER electrocatalysts. 关 键 词：theoretical predictions Ti_(3)CNCl_(2)@CoS_(2)core-shell nanostructure electronic non-localization hydrogen evolution
相关文献

参考文献(68)

引证文献(6)

耦合文献(126)

网站首页 | 关于我们 | 联系我们 | 产品服务 | 客服中心 | 广告服务 | 版权声明 | 网站联盟 | 友情链接 | 售卡网点

版权所有© 渝B2-20050021-1　渝公网安备 50019002500403号　违法和不良信息举报中心

互联网出版许可证 新出网证(渝)字10号 全国400电话 - 免长途话费