Single Ni atoms with higher positive charges induced by hydroxyls for electrocatalytic CO<sub>2</sub> reduction
Bibliographic record
Abstract
To promote the faradaic efficiency of the electrocatalytic CO2 reduction reaction (CO2RR) with low-cost catalysts, single Ni atoms with higher positive charges induced by hydroxyls were proposed to form an atomically dispersed Ni-N4 structure in a cheap honeycomb-like carbon matrix for electrocatalytic CO2 reduction. Extended X-ray absorption fine structure spectroscopy, aberration-corrected High-angle annular dark-field scanning transmission electron microscopy and X-ray photoelectron spectroscopy measurements confirmed that the active-center structure consists of single Ni atoms and the adjacent hydroxyl via hydrothermal treatment (H-Ni/NC). Density functional theory calculations indicated that the isolated Ni atoms with higher positive charges induced by the hydroxyl decreased the free energy of the rate-limiting step to 1.05 eV for the CO2RR. The faradaic efficiency (FE) of CO2 reduction into CO was ≥88.0% over the H-Ni/NC catalyst in the potential range of -0.5 to -0.9 V (vs. RHE). The peak CO FE reached 97% at -0.7 V due to the synergistic effect between the unsaturated Ni-N4 active sites and the hydroxyl species.
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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".