Determining the Criticality of Li‐Excess for Disordered‐Rocksalt Li‐Ion Battery Cathodes
Bibliographic record
Abstract
Abstract The development of Li‐excess disordered‐rocksalt (DRX) cathodes for Li‐ion batteries and interpretation through the framework of percolation theory of Li diffusion have steered researchers to consider “Li‐excess” ( x > 1.1 in Li x TM 2− x O 2 ; TM = transition metal) as being critical to achieving high performance. It is shown that this is not necessary for Mn‐rich DRX‐cathodes demonstrated by Li 1.05 Mn 0.90 Nb 0.05 O 2 and Li 1.20 Mn 0.60 Nb 0.20 O 2 , which both deliver high capacity (>250 mAh g −1 ) regardless of their Li‐excess level. By contextualizing this finding within the broader space of DRX chemistries and confirming with first‐principles calculations, it is revealed that the percolation effect is not crucial at the nanoparticle scale. Instead, Li‐excess is necessary to lower the charging voltage (through the formation of condensed oxygen species upon oxygen oxidation) of certain DRX cathodes, which otherwise would experience difficulties in charging due to their very high TM‐redox potential. The findings reveal the dual roles of Li‐excess – modifying the cathode voltage in addition to promoting Li diffusion through percolation – that must be simultaneously considered to determine the criticality of Li‐excess for high‐capacity DRX cathodes.
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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) | 0.001 | 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".