Fe-NC Single-Atom Catalyst with Hierarchical Porous Structure and P–O Bond Coordination for Oxygen Reduction
Bibliographic record
Abstract
Developing hierarchical porous heteroatom-doped carbon materials as efficient and durable electrocatalysts for oxygen reduction reaction (ORR) is of great importance for realizing electrochemical energy conversion and storage devices. Herein, we report a strategy of introducing the P–O bond to tune the intrinsic activity of the single Fe atom catalyst in a porous carbon matrix for ORR. Experimental analysis associated with theoretical calculations revealed that the P–O bond dopant in traditional Fe–N 4 center-enriched porous carbon regulates the electronic structure of the Fe–N 4 center and lowers its energy barrier for ORR. In particular, the P–O bond in the third coordination shell of the Fe center accelerates the rate-determining step of hydrogenation of adsorbed oxygen on the Fe–N 4 site. Besides, this material features additional structural benefits by providing an enviable arrangement of large internal reactive surface areas, abundant hierarchical porosity, and a fast charge transport path, eventually leading to good ORR electrochemical performance.
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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".