CORC  > 过程工程研究所  > 中国科学院过程工程研究所
Abnormal Enhanced Free Ions of Ionic Liquids Confined in Carbon Nanochannels
Wang, Mi1,2; Wang, Yanlei1,2; Wang, Chenlu1,2; Gan, Zhongdong1; Huo, Feng1,2; He, Hongyan1,3; Zhang, Suojiang1,2
刊名JOURNAL OF PHYSICAL CHEMISTRY LETTERS
2021-07-08
卷号12期号:26页码:6078-6084
ISSN号1948-7185
DOI10.1021/acs.jpclett.1c01114
英文摘要

Revealing the structure and behavior of confined ionic liquids (ILs) is essential for their applications in green chemical processes. Here, we explore the electroconductivity (sigma) and ionic correlation of imidazole ILs confined in graphene nanochannels via joint molecular dynamics simulation and theoretical analysis. The ideal and actual s of ILs are first calculated, showing a growing tendency and up to the bulk value as the nanochannel size ranges from 1 to 10 nm. To account for the ionic correlation, the ionicity was determined by the ratio of the actual to ideal s, reflecting the average fraction of free ions in the confined ILs. Amazingly, the ionicity of all three ILs shows an abnormal changing tendency, which first increases and reaches the maximum at 2 nm and then decreases to the bulk value. The conformational analysis, pair dissociating energy, and residence time are further obtained, proving that the abnormal enhanced ionicity should be attributed to the structure reconstruction of ILs near the graphene wall. The analytical model of ionicity herein can guide the rational design of efficient IL-based nanoporous electrodes and solid catalysts.

资助项目National Natural Science Foundation of China[21922813] ; National Natural Science Foundation of China[21890762] ; National Natural Science Foundation of China[22078322] ; National Natural Science Foundation of China[21978293] ; National Natural Science Foundation of China[21834006] ; Youth Innovation Promotion Association of CAS[2017066] ; Youth Innovation Promotion Association of CAS[2021046] ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences[IAGM2020C16]
WOS关键词Dynamics ; Graphene ; Systems ; Storage
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:000672734200008
资助机构National Natural Science Foundation of China ; Youth Innovation Promotion Association of CAS ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences
内容类型期刊论文
源URL[http://ir.ipe.ac.cn/handle/122111/49364]  
专题中国科学院过程工程研究所
通讯作者Wang, Yanlei; He, Hongyan; Zhang, Suojiang
作者单位1.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst, CAS Key Lab Green Proc & Engn,Inst Proc Engn, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Chinese Acad Sci, Innovat Acad Green Manufacture, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714
Wang, Mi,Wang, Yanlei,Wang, Chenlu,et al. Abnormal Enhanced Free Ions of Ionic Liquids Confined in Carbon Nanochannels[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2021,12(26):6078-6084.
APA Wang, Mi.,Wang, Yanlei.,Wang, Chenlu.,Gan, Zhongdong.,Huo, Feng.,...&Zhang, Suojiang.(2021).Abnormal Enhanced Free Ions of Ionic Liquids Confined in Carbon Nanochannels.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,12(26),6078-6084.
MLA Wang, Mi,et al."Abnormal Enhanced Free Ions of Ionic Liquids Confined in Carbon Nanochannels".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12.26(2021):6078-6084.
个性服务
查看访问统计
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。


©版权所有 ©2017 CSpace - Powered by CSpace