Novel <i>Pn</i> Polymorph for Li<sub>2</sub>MnSiO<sub>4</sub> and Its Electrochemical Activity As a Cathode Material in Li-Ion Batteries
Bibliographic record
Abstract
We report on the synthesis and characterization of a new metastable polymorph of Li 2 MnSiO 4 adopting the Pn space group, prepared by ion-exchange from Na 2 MnSiO 4 . Density-functional theory methods were used to predict the lattice parameters and atom positions of the new polymorph material and those of Na 2 MnSiO 4 and LiNaMnSiO 4, allowing their identification by X-ray diffraction profiles, as well as the comparison of the measured and calculated cell parameters. The electrochemical activity of this new polymorph as a cathode material for lithium ion batteries was evaluated in coin cells and compared to that of the thermodynamically stable Pmn 2 1 polymorph of Li 2 MnSiO 4, as well as LiNaMnSiO 4 and Na 2 MnSiO 4 . Carbon coating, very vital to the electrochemical activity of the material, was added in situ to the material before ion-exchange because the metastable polymorph converts to the stable polymorph above 370 °C, as confirmed by differential scanning calorimetry scans. Both Li 2 MnSiO 4 polymorphs display similar charge–discharge curves, except for a marginally lower lithium extraction voltage during the first charge of the Pn structure that may be due to the presence of sodium ion impurities. A discharge capacity of 110 mA h g –1 is initially observed for both Li 2 MnSiO 4 polymorphs and both exhibit similar capacity fades. LiNaMnSiO 4, however, yields a stable capacity of 45 mA h g –1, whereas Na 2 MnSiO 4 yields an initial capacity of 20 mAh g –1, increasing to 60 mAh g –1 with cycling.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".