Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS
文献类型：期刊论文
| 作者 | Borodin, O8; Zhang, YY; Su, M2,4,5; Yu, XF; Zhou, YF ; Wang, JG; Cao, RG; Xu, W3; Wang, CM; Baer, DR
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| 刊名 | ANALYTICAL CHEMISTRY
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| 出版日期 | 2018 |
| 卷号 | 90期号:5页码:3341-3348 |
| 关键词 | CARBONATE-BASED ELECTROLYTES DENSITY-FUNCTIONAL THEORY MASS-SPECTROMETRY BATTERY ELECTROLYTES PROPYLENE CARBONATE LI-ION PREFERENTIAL SOLVATION INTERPHASIAL CHEMISTRY MOLECULAR-DYNAMICS ETHYLENE CARBONATE |
| ISSN号 | 0003-2700 |
| DOI | 10.1021/acs.analchem.7b04921 |
| 英文摘要 | Ion solvent interactions in nonaqueous electrolytes are of fundamental interest and practical importance, yet debates regarding ion preferential solvation and coordination numbers persist. In this work, in situ liquid SIMS was used to examine ion-solvent interactions in three representative electrolytes, i.e., lithium hexafluorophosphate (LiPF6) at 1.0 M in ethylene carbonate (EC)-dimethyl carbonate (DMC) and lithium bis(fluorosulfonyl)imide (LiFSI) at both low (1.0 M) and high (4.0 M) concentrations in 1,2-dimethoxyethane (DME). In the positive ion mode, solid molecular evidence strongly supports the preferential solvation of Li+ by EC. Besides, from the negative spectra, we also found that PF6- forms association with EC, which has been neglected by previous studies due to the relatively weak interaction. In both LiFSI in DME electrolytes, however, no evidence shows that FSI- is associated with DME. Furthermore, strong salt ion cluster signals were observed in the 1.0 M LiPF6 in EC DMC electrolyte, suggesting that a significant amount of Li+ ions stay in the vicinity of anions. In sharp comparison, weak ion cluster signals were detected in dilute LiFSI in DME electrolyte, suggesting most ions are well separated, in agreement with our molecular dynamics simulation results. These findings indicate that with virtues of little bias on detecting positive and negative ions and the capability of directly analyzing concentrated electrolytes, in situ liquid SIMS is a powerful tool that can provide key evidence for improved understanding on the ion solvent interactions in nonaqueous electrolytes. Therefore, we anticipate wide applications of in situ liquid SIMS on investigations of various ion solvent interactions in the near future. |
| 学科主题 | Chemistry |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/22940]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 |
| 作者单位 | 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Natl Ctr Mass Spectrometry Beijing, CAS Key Lab Analyt Chem Living Biosyst,Inst Chem, Beijing 100190, Peoples R China 2.Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA 3.Pacific Northwest Natl Lab, Computat Math Grp, Phys & Computat Sci Directorate, Richland, WA 99354 USA 4.Pacific Northwest Natl Lab, Energy Proc & Mat Div, Energy & Environm Directorate, Richland, WA 99354 USA 5.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 6.Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China 7.Shandong Univ, Sch Phys, State Key Lab Crystal Mat, Jinan 250100, Shandong, Peoples R China 8.Shandong Univ, Key Lab Particle Phys & Particle Irradiat MOE, Jinan 250100, Shandong, Peoples R China 9.US Army Res Lab, Electrochem Branch, Power & Energy Div, Sensor & Electron Devices Directorate, Adelphi, MD 20783 USA |
| 推荐引用方式 GB/T 7714 | Borodin, O,Zhang, YY,Su, M,et al. Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS[J]. ANALYTICAL CHEMISTRY,2018,90(5):3341-3348. |
| APA | Borodin, O.,Zhang, YY.,Su, M.,Yu, XF.,Zhou, YF.,...&Zhu, ZH.(2018).Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS.ANALYTICAL CHEMISTRY,90(5),3341-3348. |
| MLA | Borodin, O,et al."Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS".ANALYTICAL CHEMISTRY 90.5(2018):3341-3348. |
入库方式： OAI收割
来源：理论物理研究所
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