Effects of anions and alkyl chain length of imidazolium-based ionic liquids at the Au (111) surface on interfacial structure: a first-principles study
The interfacial structure and adsorption mechanism of imidazolium-based ionic liquids (ILs) on Au (111) surface were investigated via first-principles calculation. Electron density analysis and Bader charge analysis were used to explore the electronic structure of Au (111)-ILs interface. Computation...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2021-12-01
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| Series: | Green Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666952821000443 |