Synthesis of cobalt single atom catalyst by a solid-state transformation strategy for direct C-C cross-coupling of primary and secondary alcohols
Bibliographic record
Abstract
Atomic engineering of single atom catalysts (SACs) with high-density available active sites and optimized electronic properties can substantially boost catalytic efficacy. Herein, we report a solid-state transformation strategy to access Co SACs by introducing Co species from commercial Co2O3 powders into nitrogen-doped carbon support. The catalyst exhibited excellent catalytic activity, with a turnover frequency (TOF) of 2,307 h−1 and yield of 95%, in the direct C-C cross-coupling of benzyl alcohol and 1-phenylethanol (1 atm O2@80 °C) to yield chalcone. Density functional theory (DFT) calculations demonstrate the coordination environment and electronic metal-support interaction impact the catalytic pathway. In particular, a wide substrate scope and a broad functional-group tolerance of this SAC were validated, and the employment of this strategy for large-scale synthesis was also shown to be feasible. This work might shed light on the facile and scalable synthesis of highly active, selective, and stable SACs for heterogeneous catalysis.
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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 | 0.002 | 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 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".