Revealing the wetting mechanism of Li plus -doped ionic liquids on the TiO2 surface
文献类型：期刊论文
| 作者 | Wang, Chenlu1,2; Liu, Guangyong1; Cao, Renqiang1; Xia, Yu3; Wang, Yanlei1,2; Nie, Yi1,4; Yang, Chao1; He, Hongyan1,2,5 |
| 刊名 | CHEMICAL ENGINEERING SCIENCE
 |
| 出版日期 | 2023-01-16 |
| 卷号 | 265页码:9 |
| 关键词 | Ionic liquids Lithium-ion Electrode interface Molecular dynamics simulation Energy storage |
| ISSN号 | 0009-2509 |
| DOI | 10.1016/j.ces.2022.118211 |
| 英文摘要 | The sensible design of ionic liquid (IL)-based application relies on a thorough knowledge of the structure and characteristics of electrolyte-electrode interfaces. Here, the wetting processes of the Li+-doped ILs droplets on the TiO2-B(10 0) surface are investigated by molecular dynamics simulation. According to the spatial distributions of components, doped Li+ prefers to substitute the ILs and adsorb to the sub-strate, causing the orientation changes of the ILs, weakening the ILs-substrate interaction, and slowing down the wetting process significantly. As Li+ concentration rises from 0 to 80 %, the contact angle increases from 86.97 to 131.18 degrees, inducing the hydrophilic-to-hydrophobic transition. On the contrary, heating up would reduce the contact angle by extending the contact length and enhancing the maximum density of Li+-doped ILs at the interface. These quantitative results prove that the dense adjacent layer in the interface induced by the strong adsorption of Li+ dominates the wetting process of Li+-doped ILs. (c) 2022 Elsevier Ltd. All rights reserved. |
| WOS关键词 | ELECTROLYTES ; SIMULATIONS ; INTERFACE ; GRAPHENE ; BEHAVIOR ; POLAR ; SIZE ; DFT |
| 资助项目 | National Key R&D Program of China[2021YFB3802600] ; National Natural Science Foundation of China[21922813] ; National Natural Science Foundation of China[22178344] ; National Natural Science Foundation of China[22278401] ; Youth Innovation Promotion Association of CAS[2021046] ; Youth Innovation Promotion Association of CAS[Y2021022] ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences[IAGM2020C16] |
| WOS研究方向 | Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000877836500006 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 资助机构 | National Key R&D Program of China ; National Natural Science Foundation of China ; Youth Innovation Promotion Association of CAS ; Innovation Academy for Green Manufacture, Chinese Academy of Sciences |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/55722]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Wang, Yanlei; He, Hongyan |
| 作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst,CAS Key Lab, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Beijing Inst Technol, State Key Lab Explos Sci & Technol, Beijing 100081, Peoples R China 4.Zhengzhou Inst Emerging Ind Technol, Zhengzhou 450000, Peoples R China 5.Chinese Acad Sci, Innovat Acad Green Manufacture, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Chenlu,Liu, Guangyong,Cao, Renqiang,et al. Revealing the wetting mechanism of Li plus -doped ionic liquids on the TiO2 surface[J]. CHEMICAL ENGINEERING SCIENCE,2023,265:9. |
| APA | Wang, Chenlu.,Liu, Guangyong.,Cao, Renqiang.,Xia, Yu.,Wang, Yanlei.,...&He, Hongyan.(2023).Revealing the wetting mechanism of Li plus -doped ionic liquids on the TiO2 surface.CHEMICAL ENGINEERING SCIENCE,265,9. |
| MLA | Wang, Chenlu,et al."Revealing the wetting mechanism of Li plus -doped ionic liquids on the TiO2 surface".CHEMICAL ENGINEERING SCIENCE 265(2023):9. |
入库方式： OAI收割
来源：过程工程研究所
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