Nanoparticle Shape Effect Study as an Efficient Tool to Reveal the Structure Sensitivity of Olefinic Alcohol Hydrogenation
Bibliographic record
Abstract
Monodisperse Pd nanocubes of 20 nm rib length and Pd nanospheres of 3.0 nm diameter were synthesized in the presence of cetyltrimethylammonium bromide and used to investigate the structure sensitivity of three-phase 2-methyl-3-buten-2-ol hydrogenation. Turnover frequencies per all surface atoms were found as 2.58 s −1 for the cubes and 3.86 s −1 for the spheres at 313 K, indicating that (100) atoms of the cubes comprising ∼98% of all surface atoms have lower activity than other surface atoms of the spheres, composed of atoms on (111), (100) terraces, edges, and vertices. Apparent activation energies of 23 kJ/mol for the cubes and 17 kJ/mol for the spheres in the verified kinetic regime confirmed the reaction structure sensitivity. Assuming that only (100) and (111) atoms are active on the sphere surface, a hypothetical most active Pd nanostructure was predicted as a tetrahedron allowing twice higher activity per Pd loading as compared to a spherical particle.
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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 | 0.003 | 0.001 |
| 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 | 0.001 | 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".