Charge fluctuations in nanoscale capacitors.
The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with hi...
| Main Authors: | , , , , , , |
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| Format: | Journal article |
| Jezik: | English |
| Izdano: |
2013
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| _version_ | 1826298568581840896 |
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| author | Limmer, D Merlet, C Salanne, M Chandler, D Madden, P van Roij, R Rotenberg, B |
| author_facet | Limmer, D Merlet, C Salanne, M Chandler, D Madden, P van Roij, R Rotenberg, B |
| author_sort | Limmer, D |
| collection | OXFORD |
| description | The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with histogram reweighting techniques. This approach offers, in particular, an efficient, accurate, and physically insightful route to the differential capacitance that is broadly applicable. We demonstrate these methods with three different capacitors: pure water between platinum electrodes and a pure as well as a solvent-based organic electrolyte each between graphite electrodes. The total charge distributions with the pure solvent and solvent-based electrolytes are remarkably Gaussian, while in the pure ionic liquid the total charge distribution displays distinct non-Gaussian features, suggesting significant potential-driven changes in the organization of the interfacial fluid. |
| first_indexed | 2024-03-07T04:48:51Z |
| format | Journal article |
| id | oxford-uuid:d441a65a-bb1d-49b6-88ef-dc0919c5df2c |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:48:51Z |
| publishDate | 2013 |
| record_format | dspace |
| spelling | oxford-uuid:d441a65a-bb1d-49b6-88ef-dc0919c5df2c2022-03-27T08:17:08ZCharge fluctuations in nanoscale capacitors.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:d441a65a-bb1d-49b6-88ef-dc0919c5df2cEnglishSymplectic Elements at Oxford2013Limmer, DMerlet, CSalanne, MChandler, DMadden, Pvan Roij, RRotenberg, BThe fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with histogram reweighting techniques. This approach offers, in particular, an efficient, accurate, and physically insightful route to the differential capacitance that is broadly applicable. We demonstrate these methods with three different capacitors: pure water between platinum electrodes and a pure as well as a solvent-based organic electrolyte each between graphite electrodes. The total charge distributions with the pure solvent and solvent-based electrolytes are remarkably Gaussian, while in the pure ionic liquid the total charge distribution displays distinct non-Gaussian features, suggesting significant potential-driven changes in the organization of the interfacial fluid. |
| spellingShingle | Limmer, D Merlet, C Salanne, M Chandler, D Madden, P van Roij, R Rotenberg, B Charge fluctuations in nanoscale capacitors. |
| title | Charge fluctuations in nanoscale capacitors. |
| title_full | Charge fluctuations in nanoscale capacitors. |
| title_fullStr | Charge fluctuations in nanoscale capacitors. |
| title_full_unstemmed | Charge fluctuations in nanoscale capacitors. |
| title_short | Charge fluctuations in nanoscale capacitors. |
| title_sort | charge fluctuations in nanoscale capacitors |
| work_keys_str_mv | AT limmerd chargefluctuationsinnanoscalecapacitors AT merletc chargefluctuationsinnanoscalecapacitors AT salannem chargefluctuationsinnanoscalecapacitors AT chandlerd chargefluctuationsinnanoscalecapacitors AT maddenp chargefluctuationsinnanoscalecapacitors AT vanroijr chargefluctuationsinnanoscalecapacitors AT rotenbergb chargefluctuationsinnanoscalecapacitors |