Decoding the Reaction Mechanisms of WS <sub>2</sub> ‐Confined Atomic Co Sites in Hydrogenation and Hydrogen Production Reactions
Bibliographic record
Abstract
ABSTRACT Developing advanced catalysts for hydrogenation and hydrogen production is essential for producing fuels and materials in a sustainable form. However, challenges remain due to the catalysts’ poor activity and limited lifetime. Herein, we report on an efficient atomic editing approach using sulfur‐confined atomic Co atoms on tungsten sulfide nanosheets (Co 1 /WS 2 ) that can effectively break scaling‐limitations. This approach yields improved catalytic performance in achieving transfer hydrogenation of quinoline, exhibiting an excellent yield of 99% toward 1,2,3,4‐tetrahydroquinoline and a record high turnover frequency (TOF) of 3371 h −1 . Importantly, a wide substrate scope and efficient continuous‐flow production are successfully demonstrated. Using Co 1 /WS 2 as a hydrogen evolution reaction (HER) catalyst in acidic media, an ultra‐low overpotential of 19 mV at 10 mA cm −2 and a high operational stability are obtained. Characterizations and computational studies demonstrate that the coordination environments, metal‐support interactions, and charge transfer lead to optimized intermediates and adsorption energies. This not only facilitates the transfer hydrogenation of quinoline with active * H species through the Eley−Rideal mechanism, but also enhances proton transfer and promotes efficient H 2 desorption for HER. This work paves the way for a tailored catalyst design strategy with high atom‐economy that overcomes the dilemma between activity and stability.
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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 | 0.001 | 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".