Discretizing Cobalt Spin–Orbitals through Tuning the Crystal Symmetry for Zinc–Air Batteries
Bibliographic record
Abstract
Regulating the electron-spin state of metal active sites is a rarely cultivated topic for oxygen electrocatalysis. Here, a dual-ligand metal–organic framework (DM) is developed to endow Co sites with D 4 h crystal symmetry, reconfiguring their orbital degeneracy and electron spin state. The discretized spin–orbital configuration offers the accelerated transformation of the O-related intermediate by accepting electrons via partial d-orbital occupation and mediation of the hydroxyl adsorption strength through electron donation to O p-orbitals. With this orbital flexibility, Co sites serve as “Lewis acid–base” pairs that hasten O redox of oxygen during Zn–air battery cycling, which is validated by operando X-ray absorption spectroscopy and theoretical modeling. Compared to counterparts with different crystal symmetries, Zn–air batteries using the DM electrocatalyst showcase reduced charge–discharge voltage gap and high round-trip energy efficiency at high areal capacity.
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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 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".