The limited influence of transference number on the performance of nanoscale batteries
© 2020 Author(s). We present a model of a nanoscale Li-ion-type battery that includes explicit, atomistic representation of the current-carrying cations and their counter-ions. We use this model to simulate the dependence of battery performance on the transference number of the electrolyte. We repor...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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AIP Publishing
2021
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| Online Access: | https://hdl.handle.net/1721.1/132197 |
| _version_ | 1811095964861071360 |
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| author | Dwelle, Kaitlyn A Willard, Adam P |
| author_facet | Dwelle, Kaitlyn A Willard, Adam P |
| author_sort | Dwelle, Kaitlyn A |
| collection | MIT |
| description | © 2020 Author(s). We present a model of a nanoscale Li-ion-type battery that includes explicit, atomistic representation of the current-carrying cations and their counter-ions. We use this model to simulate the dependence of battery performance on the transference number of the electrolyte. We report simulated values of the current at constant applied voltage for a series of model electrolytes with varying cation and anion mobilities. Unlike the predictions of macroscopic device models, our simulation results reveal that under conditions of fixed cation mobility, the performance of a nanoscale battery is not improved by increasing the transference number of the electrolyte. We attribute this model discrepancy to the ability of the electrolyte to support deviations from charge neutrality over nanometer length scales and conclude that models for nanoscale electrochemical systems need to include the possibility of deviations from electroneutrality. |
| first_indexed | 2024-09-23T16:35:59Z |
| format | Article |
| id | mit-1721.1/132197 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T16:35:59Z |
| publishDate | 2021 |
| publisher | AIP Publishing |
| record_format | dspace |
| spelling | mit-1721.1/1321972021-09-21T03:05:05Z The limited influence of transference number on the performance of nanoscale batteries Dwelle, Kaitlyn A Willard, Adam P © 2020 Author(s). We present a model of a nanoscale Li-ion-type battery that includes explicit, atomistic representation of the current-carrying cations and their counter-ions. We use this model to simulate the dependence of battery performance on the transference number of the electrolyte. We report simulated values of the current at constant applied voltage for a series of model electrolytes with varying cation and anion mobilities. Unlike the predictions of macroscopic device models, our simulation results reveal that under conditions of fixed cation mobility, the performance of a nanoscale battery is not improved by increasing the transference number of the electrolyte. We attribute this model discrepancy to the ability of the electrolyte to support deviations from charge neutrality over nanometer length scales and conclude that models for nanoscale electrochemical systems need to include the possibility of deviations from electroneutrality. 2021-09-20T18:21:19Z 2021-09-20T18:21:19Z 2020-09-23T12:28:29Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/132197 en 10.1063/1.5142613 The Journal of Chemical Physics Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ application/pdf AIP Publishing chemRxiv |
| spellingShingle | Dwelle, Kaitlyn A Willard, Adam P The limited influence of transference number on the performance of nanoscale batteries |
| title | The limited influence of transference number on the performance of nanoscale batteries |
| title_full | The limited influence of transference number on the performance of nanoscale batteries |
| title_fullStr | The limited influence of transference number on the performance of nanoscale batteries |
| title_full_unstemmed | The limited influence of transference number on the performance of nanoscale batteries |
| title_short | The limited influence of transference number on the performance of nanoscale batteries |
| title_sort | limited influence of transference number on the performance of nanoscale batteries |
| url | https://hdl.handle.net/1721.1/132197 |
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