X-ray/Neutron Diffraction and Electrochemical Studies of Lithium De/Re-Intercalation in Li<sub>1</sub><sub>-</sub><i><sub>x</sub></i>Co<sub>1/</sub><sub>3</sub>Ni<sub>1/3</sub>Mn<sub>1/3</sub>O<sub>2</sub> (<i>x</i> = 0 → 1)
Why this work is in the frame
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Bibliographic record
Abstract
X-ray and neutron diffraction studies were carried out on highly ordered (2−3% Li/Ni exchange) layered Li 1 - x Co 1/3 Ni 1/3 Mn 1/3 O 2 [(1 − x ) = 1.0; 0.8, 0.6, 0.45, 0.30, 0.04] prepared by chemical delithiation and relithiation. The studies reveal that the initial R 3̄ m phase (O3) is maintained up to extraction of 0.70−0.75 Li and exhibits only ∼1% change in volume over the range of composition. Additional extraction of Li results in the appearance of the O1 phase (trigonal; P 3̄ m 1), which displays a strong contraction in the c axis by 5.3% and a volume decrease of 7.2%. Oxygen vacancies were not evident in the completely delithiated material. Re-intercalation of lithium in this phase was relatively irreversible, however, resulting in poorly defined mixtures of the O3 and O1 structures that exhibited a large fraction of stacking faults. In contrast, materials that were not delithiated beyond x = 0.30 resulted in fully reversible reformation of the original crystalline O3 phase on re-intercalation. Electrochemical cycling under different cutoff voltages were in accord with these observations and suggest an optimum upper cutoff voltage of 4.3−4.4 V.
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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 | 0.004 | 0.002 |
| Meta-epidemiology (narrow) | 0.006 | 0.007 |
| Meta-epidemiology (broad) | 0.008 | 0.001 |
| Bibliometrics | 0.002 | 0.002 |
| Science and technology studies | 0.001 | 0.002 |
| Scholarly communication | 0.001 | 0.003 |
| Open science | 0.003 | 0.002 |
| Research integrity | 0.004 | 0.003 |
| Insufficient payload (model declined to judge) | 0.000 | 0.001 |
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 it