Engineering Charge Polarized Au Sites for Low‐Temperature Acetylene Hydrochlorination
Bibliographic record
Abstract
Abstract Cationic gold catalyzed acetylene hydrochlorination represents a classical landmark in eliminating global mercury pollution, but their sustainable implementation is hindered by acetylene‐dependence design criteria and high operating temperatures. Herein, a platform of carbon‐supported single‐atoms Au catalysts (Au/BC and Au/NC) with polarized charge characteristics are developed via engineering Au sites with hosted B, N configurations. The negatively charged Au/BC catalyst unlocks the low‐temperature inactivity (413–423K) of the Au/NC catalyst while exhibiting superior catalytic performance in the 433–473K operating temperature range. We confirm that the classical scaling relationships on acetylene can be broken by narrowing the adsorption capacity between acetylene and HCl on Au δ⁻ sites via facilitating the back‐donation of d electrons into the antibonding orbitals of acetylene. Prolonging the durability of Au catalysts is achieved through preceding an additional robust Au δ⁻ → Au δ⁺ cycle prior to the classic Au δ⁺ → Au 0 route. This work opens a promising avenue for low temperature vinyl chloride production.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".