From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors
Due to the unique properties of room temperature ionic liquids (RTILs), most researchers’ interest in RTIL-based electrolytes in electric double-layer capacitors (EDLCs) stems from molecular simulations, which are different from experimental scientific research fields. The knowledge of RTIL-based el...
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| Formato: | Artigo |
| Idioma: | English |
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MDPI AG
2024-03-01
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| coleção: | Molecules |
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| Acesso em linha: | https://www.mdpi.com/1420-3049/29/6/1246 |
| _version_ | 1827305442992193536 |
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| author | Kun Zhang Chunlei Wei Menglian Zheng Jingyun Huang Guohui Zhou |
| author_facet | Kun Zhang Chunlei Wei Menglian Zheng Jingyun Huang Guohui Zhou |
| author_sort | Kun Zhang |
| collection | DOAJ |
| description | Due to the unique properties of room temperature ionic liquids (RTILs), most researchers’ interest in RTIL-based electrolytes in electric double-layer capacitors (EDLCs) stems from molecular simulations, which are different from experimental scientific research fields. The knowledge of RTIL-based electrolytes in EDLCs began with a supposition obtained from the results of molecular simulations of molten salts. Furthermore, experiments and simulations were promoted and developed rapidly on this topic. In some instances, the achievements of molecular simulations are ahead of even those obtained from experiments in quantity and quality. Molecular simulations offer more information on the impacts of overscreening, quasicrowding, crowding, and underscreening for RTIL-based electrolytes than experimental studies, which can be helpful in understanding the mechanisms of EDLCs. With the advancement of experimental technology, these effects have been verified by experiments. The simulation prediction of the capacitance curve was in good agreement with the experiment for pure RTILs. For complex systems, such as RTIL–solvent mixtures and RTIL mixture systems, both molecular simulations and experiments have reported that the change in capacitance curves is not monotonous with RTIL concentrations. In addition, there are some phenomena that are difficult to explain in experiments and can be well explained through molecular simulations. Finally, experiments and molecular simulations have maintained synchronous developments in recent years, and this paper discusses their relationship and reflects on their application. |
| first_indexed | 2024-04-24T17:58:15Z |
| format | Article |
| id | doaj.art-592130a2c8fc4f7b9b10837e4f613f16 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-04-24T17:58:15Z |
| publishDate | 2024-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-592130a2c8fc4f7b9b10837e4f613f162024-03-27T13:56:50ZengMDPI AGMolecules1420-30492024-03-01296124610.3390/molecules29061246From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer CapacitorsKun Zhang0Chunlei Wei1Menglian Zheng2Jingyun Huang3Guohui Zhou4Institute of Wenzhou, Zhejiang University, Wenzhou 325036, ChinaInstitute of Quzhou, Zhejiang University, Quzhou 324000, ChinaInstitute of Wenzhou, Zhejiang University, Wenzhou 325036, ChinaInstitute of Wenzhou, Zhejiang University, Wenzhou 325036, ChinaSchool of Chemistry and Chemical Engineering, Qingdao University, Qingdao 266071, ChinaDue to the unique properties of room temperature ionic liquids (RTILs), most researchers’ interest in RTIL-based electrolytes in electric double-layer capacitors (EDLCs) stems from molecular simulations, which are different from experimental scientific research fields. The knowledge of RTIL-based electrolytes in EDLCs began with a supposition obtained from the results of molecular simulations of molten salts. Furthermore, experiments and simulations were promoted and developed rapidly on this topic. In some instances, the achievements of molecular simulations are ahead of even those obtained from experiments in quantity and quality. Molecular simulations offer more information on the impacts of overscreening, quasicrowding, crowding, and underscreening for RTIL-based electrolytes than experimental studies, which can be helpful in understanding the mechanisms of EDLCs. With the advancement of experimental technology, these effects have been verified by experiments. The simulation prediction of the capacitance curve was in good agreement with the experiment for pure RTILs. For complex systems, such as RTIL–solvent mixtures and RTIL mixture systems, both molecular simulations and experiments have reported that the change in capacitance curves is not monotonous with RTIL concentrations. In addition, there are some phenomena that are difficult to explain in experiments and can be well explained through molecular simulations. Finally, experiments and molecular simulations have maintained synchronous developments in recent years, and this paper discusses their relationship and reflects on their application.https://www.mdpi.com/1420-3049/29/6/1246room temperature ionic liquid-based electrolytemolecular dynamics simulationelectric double-layer capacitors |
| spellingShingle | Kun Zhang Chunlei Wei Menglian Zheng Jingyun Huang Guohui Zhou From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors Molecules room temperature ionic liquid-based electrolyte molecular dynamics simulation electric double-layer capacitors |
| title | From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors |
| title_full | From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors |
| title_fullStr | From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors |
| title_full_unstemmed | From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors |
| title_short | From Molecular Simulations to Experiments: The Recent Development of Room Temperature Ionic Liquid-Based Electrolytes in Electric Double-Layer Capacitors |
| title_sort | from molecular simulations to experiments the recent development of room temperature ionic liquid based electrolytes in electric double layer capacitors |
| topic | room temperature ionic liquid-based electrolyte molecular dynamics simulation electric double-layer capacitors |
| url | https://www.mdpi.com/1420-3049/29/6/1246 |
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