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 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".