Characterization of the Interface Structure of 1-Ethyl-2,3-alkylimidazolium Bis(trifluoromethylsulfonyl)imide on a Au(111) Surface with Molecular Dynamics Simulations
| Autor: | Yubin Dong, Yifei Sun, Guocai Tian, Yue Wang |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
010304 chemical physics Electrolyte 010402 general chemistry Electrochemistry 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Characterization (materials science) chemistry.chemical_compound Molecular dynamics chemistry Chemical engineering 0103 physical sciences Ionic liquid Materials Chemistry Physical and Theoretical Chemistry Imide |
| Zdroj: | The journal of physical chemistry. B. 125(14) |
| ISSN: | 1520-5207 |
| Popis: | As a new type of green electrolyte, ionic liquids have been extensively and successfully used in electrochemical systems. It is extremely important to understand the structure and characteristics of their electric double layers. The microscopic structures of room-temperature ionic liquids 1-ethyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide ([Emmim]TFSI) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([Emim]TFSI) were studied on a flat Au(111) surface using molecular dynamics simulations. Since the interactions of [Emmim]TFSI, [Emmim] |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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