Electrocatalytic CO<sub>2</sub> Reduction with Atomically Precise Au<sub>13</sub> Nanoclusters: Effect of Ligand Shell on Catalytic Performance
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Bibliographic record
Abstract
High Resolution Image Download MS PowerPoint Slide Supported gold nanoclusters of the formula [Au 13 (L) 5 Cl 2 ] 3+ where L = N -heterocyclic carbene (NHC) or phosphine ligands are examined in the electrocatalytic CO 2 reduction reaction (eCO 2 RR) in a membrane electrode assembly cell configuration. Gold nanoclusters bearing bis NHC ligands are shown to exhibit improved catalytic performance compared with diphosphine-stabilized nanoclusters after activation at the optimum treatment temperatures. The thermal properties of the nanoclusters are shown to have a significant impact on their catalytic activity. Thermogravimetric analysis, UV–vis absorption spectroscopy, and X-ray photoelectron spectroscopy revealed that thermal treatment of [Au 13 (diphosphine) 5 Cl 2 ] 3+ nanoclusters results in complete loss of diphosphine ligands while [Au 13 ( bis NHC) 5 Cl 2 ] 3+ nanoclusters show stepwise and partial removal of bis NHC ligands. We propose that the partial removal of bis NHC ligands enables efficient activation of [Au 13 ( bis NHC) 5 Cl 2 ] 3+ clusters while conserving the core structure. This leads to the implication that intact clusters retaining at least some ligands in their coordination environment are more active than ligand-free clusters.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.001 |
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