Data-Driven Insights into Ionic Conductivity in High-Dimensional Sodium Battery Electrolytes
Source abstract
Abstract
The discovery of advanced battery electrolytes is challenged by the vast compositional space of multi-component liquid formulations. Here, we introduce the ELectrolyte Laboratory for Integrated Experimentation (ELLIE), an automated platform that combines electrolyte formulation and impedance spectroscopy to map ionic conductivity across high-dimensional sodium electrolytes containing up to five salts and 15 solvents, generating an experimental dataset spanning nearly two orders of magnitude in conductivity. 23 Na NMR, Raman spectroscopy, and viscosity measurements on a subset of electrolytes at a fixed salt concentration reveal that conductivity is jointly influenced by Na + solvation strength, ion association, and solvent dynamics and positively correlates with inverse viscosity. Conductivity estimates based on the Nernst–Einstein relation captures broad concentration and viscosity relationships but do not extrapolate well across compositionally diverse electrolytes. Random forest modeling identifies lower solvent molecular weight as the dominant descriptor of high conductivity. Together, these results establish solvent molecular size as a physically interpretable descriptor of ion transport and demonstrate how automated experimentation can accelerate data-driven electrolyte optimization across complex compositional spaces.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Advanced Battery Materials and Technologies · Machine Learning in Materials Science · Thermal Expansion and Ionic Conductivity
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Research Laboratory of Electronics, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Toyota Motor Corporation (TMC)
Toyota Research Institute, 4440 El Camino Real, Los Altos, California 94022, United States
Department of Mechanical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States
Funding
National Science Foundation Graduate Research Fellowship Program · Toyota Motor Corporation · Massachusetts Institute of Technology · Toyota Research Institute · Breakthrough Energy Fellows Explorer program
References (73)
Show source-provided references
1. 10.2172/186354710.2172/1863547 ↗
2. 10.1002/aenm.20200127410.1002/aenm.202001274 ↗
3. 10.1038/s41578-021-00324-w10.1038/s41578-021-00324-w ↗
4. 10.1021/acs.jpcc.4c0879010.1021/acs.jpcc.4c08790 ↗
5. 10.1021/jacs.5c0875110.1021/jacs.5c08751 ↗
6. 10.1038/s41560-022-01144-010.1038/s41560-022-01144-0 ↗
7. 10.1021/jacs.5c0010610.1021/jacs.5c00106 ↗
8. 10.1021/acs.chemrev.9b0053110.1021/acs.chemrev.9b00531 ↗
9. 10.1149/1.211963010.1149/1.2119630 ↗
10. 10.1021/je000098x10.1021/je000098x ↗
11. 10.1002/anie.20140373410.1002/anie.201403734 ↗
12. 10.1021/acsenergylett.5c0384810.1021/acsenergylett.5c03848 ↗
13. 10.1039/c8ta07571a10.1039/c8ta07571a ↗
14. 10.1039/D3EE03141A10.1039/D3EE03141A ↗
15. 10.1021/acscentsci.5b0032810.1021/acscentsci.5b00328 ↗
16. 10.1039/D1CS00948F10.1039/D1CS00948F ↗
17. 10.1021/jacs.5c0789910.1021/jacs.5c07899 ↗
18. 10.1016/j.joule.2024.10181110.1016/j.joule.2024.101811 ↗
19. 10.1021/acsami.8b0244610.1021/acsami.8b02446 ↗
20. 10.1038/s41565-024-01848-210.1038/s41565-024-01848-2 ↗
21. 10.1021/acsami.6b1487810.1021/acsami.6b14878 ↗
22. 10.1038/s41578-022-00466-510.1038/s41578-022-00466-5 ↗
23. 10.1063/1.497748710.1063/1.4977487 ↗
24. 10.1038/s41578-018-0005-z10.1038/s41578-018-0005-z ↗
25. 10.1016/j.matt.2021.06.03610.1016/j.matt.2021.06.036 ↗
26. 10.1063/5.007632410.1063/5.0076324 ↗
27. 10.1038/s42256-025-01009-710.1038/s42256-025-01009-7 ↗
28. 10.1038/s42256-025-01173-w10.1038/s42256-025-01173-w ↗
29. 10.48550/arXiv.2505.0876210.48550/arXiv.2505.08762 ↗
30. 10.1002/anie.20060367510.1002/anie.200603675 ↗
31. 10.1021/acsmedchemlett.7b0016510.1021/acsmedchemlett.7b00165 ↗
32. 10.1038/s41573-019-0024-510.1038/s41573-019-0024-5 ↗
33. 10.1038/s41586-025-09813-210.1038/s41586-025-09813-2 ↗
34. 10.1038/s41467-024-47210-x10.1038/s41467-024-47210-x ↗
35. 10.1021/jacs.2c0859210.1021/jacs.2c08592 ↗
36. 10.1038/s41586-018-0307-810.1038/s41586-018-0307-8 ↗
37. 10.1038/s41586-020-2442-210.1038/s41586-020-2442-2 ↗
38. 10.1039/C3EE43683G10.1039/C3EE43683G ↗
39. 10.1039/D5DD00403A10.1039/D5DD00403A ↗
40. 10.1021/acsaem.5c0203010.1021/acsaem.5c02030 ↗
41. 10.1038/s41586-023-06734-w10.1038/s41586-023-06734-w ↗
42. 10.1016/j.xcrp.2023.10163310.1016/j.xcrp.2023.101633 ↗
43. 10.1016/j.xcrp.2020.10026410.1016/j.xcrp.2020.100264 ↗
44. 10.1016/j.xcrp.2022.10083210.1016/j.xcrp.2022.100832 ↗
45. 10.1038/s41467-022-32938-110.1038/s41467-022-32938-1 ↗
46. 10.1038/s41467-024-51653-710.1038/s41467-024-51653-7 ↗
47. 10.1039/D3TA06249J10.1039/D3TA06249J ↗
48. 10.1021/acsaem.5c0302810.1021/acsaem.5c03028 ↗
49. 10.1007/978-1-4684-3818-510.1007/978-1-4684-3818-5 ↗
50. 10.1016/j.matt.2025.10212910.1016/j.matt.2025.102129 ↗
51. 10.1038/s41467-019-13178-210.1038/s41467-019-13178-2 ↗
52. 10.1038/s41586-024-07045-410.1038/s41586-024-07045-4 ↗
53. 10.1039/D4EE02989E10.1039/D4EE02989E ↗
54. 10.1016/j.chempr.2019.07.00310.1016/j.chempr.2019.07.003 ↗
55. 10.1021/ja00751a00510.1021/ja00751a005 ↗
56. 10.1021/acs.jpcc.9b0996810.1021/acs.jpcc.9b09968 ↗
57. 10.1139/v68-32810.1139/v68-328 ↗
58. 10.1021/j100404a04710.1021/j100404a047 ↗
59. 10.1039/B900201D10.1039/B900201D ↗
60. 10.1021/ma00142a07910.1021/ma00142a079 ↗
61. 10.1021/cm00026a00510.1021/cm00026a005 ↗
62. 10.1016/j.polymer.2014.06.08510.1016/j.polymer.2014.06.085 ↗
63. Glasstone S. · 1941
64. 10.1139/v77-14810.1139/v77-148 ↗
65. 10.1021/j150643a03610.1021/j150643a036 ↗
66. 10.1515/zpch-1887-013310.1515/zpch-1887-0133 ↗
67. 10.1021/cr030203g10.1021/cr030203g ↗
68. 10.1149/2.0271802jes10.1149/2.0271802jes ↗
69. 10.1021/j100696a03710.1021/j100696a037 ↗
70. 10.1149/2.1681712jes10.1149/2.1681712jes ↗
71. 10.1149/1945-7111/acbee710.1149/1945-7111/acbee7 ↗
72. 10.1016/j.electacta.2005.09.01110.1016/j.electacta.2005.09.011 ↗
73. 10.1149/2.0471814jes10.1149/2.0471814jes ↗