Fe-NC Single-Atom Catalyst with Hierarchical Porous Structure and P–O Bond Coordination for Oxygen Reduction
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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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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 | 0.001 |
| 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 it