Understanding the Salt Concentration and Counteranion Dependence of Li<sup>+</sup> Solvation Entropy
Bibliographic record
Abstract
Li-ion battery electrolytes play a crucial role in enabling electrochemical energy storage and conversion, where the solvation of Li + ions strongly influences the battery performance and stability. Understanding how salt concentration and counteranion chemistry affect both the enthalpic and entropic contributions to Li + solvation could enable new design principles for next-generation electrolytes. In this work, we seek to rationalize the composition dependence of ionic Seebeck coefficients in dimethyl sulfoxide (DMSO) and 1,2-dimethoxyethane (DME) electrolytes based on independent measurements of the entropy of mixing, bulk configurational entropy (derived from heating the solidified electrolyte to the measurement temperature), ion pairing, and temperature dependence of Li + solvation enthalpy. In DMSO electrolytes with negligible ion pairing, the measured ionic Seebeck coefficients were governed solely by entropy through the combined influence of the entropy of mixing and the configurational entropy of Li + . On the other hand, in DME electrolytes where ion pairing was significant, enthalpic contributions due to ion pairing, as well as the temperature dependence of solvation enthalpy, dominated. These findings provide new molecular-level insights into how electrolyte composition and structure drive Li + solvation thermodynamics, informing future strategies for designing advanced electrolytes with improved performance.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".