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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
2021-07-08
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY LETTERS
ISSN1948-7185
Volume12Issue:26Pages:6078-6084
Abstract

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.

DOI10.1021/acs.jpclett.1c01114
Language英语
WOS KeywordDynamics ; Graphene ; Systems ; Storage
Funding ProjectNational 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 Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
Funding OrganizationNational Natural Science Foundation of China ; Youth Innovation Promotion Association of CAS ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences
WOS IDWOS:000672734200008
PublisherAMER CHEMICAL SOC
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/49365
Collection中国科学院过程工程研究所
Corresponding AuthorWang, Yanlei; He, Hongyan; Zhang, Suojiang
Affiliation1.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
Recommended Citation
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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