Conjugated Coordination Polymers with Well‐Defined Single‐Atom Metal Sites for Efficient Nitrogen Electroreduction to Ammonia
Bibliographic record
Abstract
Abstract Electrocatalytic nitrogen reduction reaction (NRR) provides a sustainable and environment‐friendly approach for ammonia (NH 3 ) electrosynthesis under ambient conditions, which unfortunately encounters sluggish reaction kinetics for dissociating N 2 reactants, resulting in unsatisfied Faradaic efficiency and NH 3 yield rate. Developing efficient NRR electrocatalysts is a prerequisite, wherein single‐atom catalyst (SAC) has profoundly emerged as a promising candidate owing to its arousing advantages such as well‐defined active sites and maximum metal‐utilization efficiency. Nevertheless, it is desired yet challenging to increase the single‐atom metal content and simultaneously achieve controllable regulation of the coordination structures of single‐atom metal sites. Herein, a high‐metal‐density conjugated coordination polymeric (CCP) catalyst featuring abundant single‐atom metal sites is developed with precisely‐tailored local coordination structures, which exhibit exceptional NRR performance toward efficient and selective NH 3 electrosynthesis. Taking nickel (Ni) as an example, NiN 4 ‐ and NiO 4 ‐ centered CCP catalysts with analogous structures are investigated as proof‐of‐concept studies. Experimental and theoretical studies suggest that the resulting NiN 4 ‐centered catalyst with upward tuned Ni 3d‐band center can appreciably enhance N 2 absorption/dissociation kinetics relative to the NiO 4 ‐centered catalyst, leading to its improved NRR performance.
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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 | 0.000 |
| 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) | 0.000 | 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".