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 |
DOI | 10.1021/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. |
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