Customizing pyridinic nitrogen coordination in Ni–N–C for electrocatalytic CO<sub>2</sub> reduction towards CO
Bibliographic record
Abstract
Abstract Nickel anchored N-doped carbon electrocatalysts (Ni–N–C) are rapidly developed for the electrochemical reduction reaction of carbon dioxide (CO 2 RR). However, the high-performanced Ni–N–C analogues design for CO 2 RR remains bewilderment, for the reason lacking of definite guidance for its structure-activity relationship. Herein, the correlation between the proportion of nitrogen species derived from various nitrogen sources and the CO 2 RR activity of Ni–N–C is investigated. The x-ray photoelectron spectroscopy (XPS) spectrum combined with the CO 2 RR performance results show that pyridinic-N content has a positive correlation with CO 2 RR activity. Moreover, density functional theory (DFT) demonstrates that pyridinic-N coordinated Ni–N 4 sites offers optimized free energy and favorable selectivity towards CO 2 RR compared with pyrrolic-N. Accordingly, Ni–N a –C with highest pyridinic-N content (ammonia as nitrogen source) performs superior CO 2 RR activity, with the maximum carbon monoxide faradaic efficiency (FE CO ) of 99.8% at −0.88 V vs. RHE and the FE CO surpassing 95% within potential ranging of −0.88 to −1.38 V vs. RHE. The building of this parameter for CO 2 RR activity of Ni–N–C give instructive forecast for low-cost and highly active CO 2 RR electrocatalysts.
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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 | 0.001 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 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".