Heteroatom‐Modulated Asymmetric Cobalt Single‐Atom Catalysts on MOF‐Derived Carbon Enabling Durable Zinc‐Iodine Batteries
Bibliographic record
Abstract
Abstract The rational design of catalytic host materials with optimized electronic structures and confined architectures is crucial for addressing the shuttle effect and sluggish kinetics in aqueous zinc‐iodine batteries. In this study, an asymmetric cobalt single‐atom catalyst is developed by anchoring Co−N 3 P 1 sites on a nitrogen‐phosphorus co‐doped carbon matrix (Co−N−PC) derived from metal–organic frameworks (MOFs). The coordination engineering of Co centers via phosphorus incorporation disrupts the symmetry of conventional Co−N 4 configurations, enhancing charge redistribution and reducing the energy barrier for iodine dissociation as confirmed by density functional theory calculations. Systematic optimization reveals that moderate Co and P doping balances active sites and electronic conductivity, achieving strong chemical adsorption of polyiodides while maintaining structural stability. In situ Raman and UV–Vis spectroscopies confirm effective confinement of iodine species and reversible iodine conversion. The optimized C3/I 2 cathode exhibits exceptional cyclability, retaining a specific capacity of 100.6 mA h g −1 after 50,000 cycles at 5 A g −1 . Furthermore, practical applicability is demonstrated in flexible soft‐pack batteries and 3D‐printed/screen‐printed micro‐batteries, showing its potential for scalable energy storage. This work presents a heteroatom‐modulation strategy for designing efficient catalytic hosts in conversion‐type batteries.
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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".