CO oxidation on Pt nanoclusters, size and coverage effects: a density functional theory study
Bibliographic record
Abstract
CO oxidation on Pt nanoclusters of approximately 1 nm in size was studied using density functional theory (DFT). Reaction barriers on various sites of a cuboctahedral 55-atom cluster and of several two-layer plane clusters representing (111) and (100) facets of the 147-atom cluster have been calculated at various coverage. The effect of atomic structure of various clusters was discussed. It was concluded that the 147-atom cuboctahedral cluster reveals properties of the Pt single crystal surfaces, while a 55-atom cluster cannot be fully described in terms of Pt single crystal surfaces. It was found that CO oxidation may occur faster at higher coverage and that for cluster sizes up to a few nanometers in size, larger platinum clusters can be more efficient in CO oxidation than the smaller clusters. The size effect was found to depend upon coverage.
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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 | 0.000 | 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 | 0.000 | 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".