Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes
The molecular dynamics simulations are employed to investigate the electric double layer structure of three different ionic liquids on single crystalline Au(100) electrodes. We used the same anion BF _4 ^- , and three different cations, 1-C _n (n = 2,4,6)-3-methylimidazolium, respectively. We earn t...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/aba505 |
| _version_ | 1797746349848920064 |
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| author | Yubin Dong |
| author_facet | Yubin Dong |
| author_sort | Yubin Dong |
| collection | DOAJ |
| description | The molecular dynamics simulations are employed to investigate the electric double layer structure of three different ionic liquids on single crystalline Au(100) electrodes. We used the same anion BF _4 ^- , and three different cations, 1-C _n (n = 2,4,6)-3-methylimidazolium, respectively. We earn to find out how the alkyl chain length of the cation affects their interfacial structure. All ionic liquids have a significant layered structure within the distance 16 Å from the electrode surface, and the results are similar to those of the other research groups. The imidazole ring of cations tends to be distributed parallel to the surface of the neutral electrode due, as the chain length increases, this trend becomes more apparent, due to the increasing of steric hindrance of cations. The same trend has been found in the system of charged Au electrodes. |
| first_indexed | 2024-03-12T15:35:35Z |
| format | Article |
| id | doaj.art-a0111fbc85aa405aa9d8e156884da842 |
| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:35:35Z |
| publishDate | 2020-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | Materials Research Express |
| spelling | doaj.art-a0111fbc85aa405aa9d8e156884da8422023-08-09T16:14:45ZengIOP PublishingMaterials Research Express2053-15912020-01-017707501010.1088/2053-1591/aba505Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodesYubin Dong0https://orcid.org/0000-0003-1011-1583Kunming University of Science and Technology , Faculty of Metallurgical and Energy Engineering, Kunming 650093, People’s Republic of ChinaThe molecular dynamics simulations are employed to investigate the electric double layer structure of three different ionic liquids on single crystalline Au(100) electrodes. We used the same anion BF _4 ^- , and three different cations, 1-C _n (n = 2,4,6)-3-methylimidazolium, respectively. We earn to find out how the alkyl chain length of the cation affects their interfacial structure. All ionic liquids have a significant layered structure within the distance 16 Å from the electrode surface, and the results are similar to those of the other research groups. The imidazole ring of cations tends to be distributed parallel to the surface of the neutral electrode due, as the chain length increases, this trend becomes more apparent, due to the increasing of steric hindrance of cations. The same trend has been found in the system of charged Au electrodes.https://doi.org/10.1088/2053-1591/aba505ionic liquidsmolecular dynamicselectronic double layerinterfacial structure |
| spellingShingle | Yubin Dong Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes Materials Research Express ionic liquids molecular dynamics electronic double layer interfacial structure |
| title | Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes |
| title_full | Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes |
| title_fullStr | Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes |
| title_full_unstemmed | Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes |
| title_short | Effect of alkyl chain length on interfacial structure of imidazolium-based tetrafluoroborate ionic liquids on Au(100) electrodes |
| title_sort | effect of alkyl chain length on interfacial structure of imidazolium based tetrafluoroborate ionic liquids on au 100 electrodes |
| topic | ionic liquids molecular dynamics electronic double layer interfacial structure |
| url | https://doi.org/10.1088/2053-1591/aba505 |
| work_keys_str_mv | AT yubindong effectofalkylchainlengthoninterfacialstructureofimidazoliumbasedtetrafluoroborateionicliquidsonau100electrodes |