Computer-Aided Multifunctional Ionic Liquid Design for the Electrolyte in LTO Rechargeable Batteries
文献类型：期刊论文
| 作者 | Cai, Yingjun1,2; Chen, Yuqiu2; Zhang, Haitao1; Von Solms, Nicolas2; Kontogeorgis, Georgios M.2; Woodley, John M.3; Thomsen, Kaj2 |
| 刊名 | Journal of Physical Chemistry C
 |
| 出版日期 | 2022-07-21 |
| 卷号 | 126期号:28页码:11498-11509 |
| 关键词 | Additives - Amides - Electrolytes - Integer programming - Nonlinear programming - Secondary batteries |
| ISSN号 | 19327447 |
| DOI | 10.1021/acs.jpcc.2c02463 |
| 英文摘要 | A computer-aided ionic liquid design (CAILD) method was employed to screen suitable ionic liquids (ILs) for use as additives in electrolytes. By formulating and solving a CAILD-based mixed-integer non-linear programming problem, 100 ILs with desired properties were systematically and rapidly identified from 1,089,450 candidates. Subsequently, a new type of IL, 3-(2-amino-2-oxoethyl)-1-vinylimidazolium bis(trifluoromethylsulfonyl)amide ([VAIM][TFSA]), was selected due to its unsaturated functional groups such as vinyl and amide as it may potentially inhibit the water and HF contents in the electrolyte. As a proof of concept, this IL was synthesized for the first time, and then, some electrolytes containing 0, 0.5, 1.0, and 3.0 wt % [VAIM][TFSA] were systemically studied in LTO/Li batteries. Our results reveal that the basic groups of [VAIM][TFSA] are capable of slowing down the release of water and HF in the electrolyte for a long time, while the unsaturated vinyl group could promote the formation of the film on the anode. Remarkably, cells with [VAIM][TFSA] (especially 0.5 wt %), after 300 cycles, present much higher specific capacity and better rate properties than their counterparts without the IL additive. 漏 2022 American Chemical Society. |
| 学科主题 | Ionic Liquids |
| 项目编号 | This research work was supported by the National Key Research and Development Program of China (no. 2019YFA0705602), the China Scholarship Council (nos. 201604910972 and 201708440264), the Science and Technology Service Network Initiative program of CAS (no KFJ-STS-QYZD-2021-02-002), IPE, and the Technical University of Denmark. |
| 出版者 | American Chemical Society |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/61283]  |
| 作者单位 | 1.Cas Key Laboratory of Green Process and Engineering, Beijing Key Laboratory of Ionic Liquids Clean Process, State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing; 100190, China 2.Center for Energy Resources Engineering (CERE), Department of Chemical and Biochemical Engineering, Technical University of Denmark, Lyngby; 2800, Denmark 3.Process and Systems Engineering Centre (PROSYS), Department of Chemical and Biochemical Engineering, Technical University of Denmark, Lyngby; 2800, Denmark |
| 推荐引用方式 GB/T 7714 | Cai, Yingjun,Chen, Yuqiu,Zhang, Haitao,et al. Computer-Aided Multifunctional Ionic Liquid Design for the Electrolyte in LTO Rechargeable Batteries[J]. Journal of Physical Chemistry C,2022,126(28):11498-11509. |
| APA | Cai, Yingjun.,Chen, Yuqiu.,Zhang, Haitao.,Von Solms, Nicolas.,Kontogeorgis, Georgios M..,...&Thomsen, Kaj.(2022).Computer-Aided Multifunctional Ionic Liquid Design for the Electrolyte in LTO Rechargeable Batteries.Journal of Physical Chemistry C,126(28),11498-11509. |
| MLA | Cai, Yingjun,et al."Computer-Aided Multifunctional Ionic Liquid Design for the Electrolyte in LTO Rechargeable Batteries".Journal of Physical Chemistry C 126.28(2022):11498-11509. |
入库方式： OAI收割
来源：过程工程研究所
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