Oxygen Adsorption on Au–Ni(111) Surface Alloys
Bibliographic record
Abstract
Molecular O[subscript 2] dissociates upon interaction with a Ni(111) surface, as the spatial and energetic overlap between the Ni 3d electrons and the O[subscript 2] antibonding orbitals is quite favorable. On a Au–Ni(111) surface alloy where the extent of this overlap is greatly reduced, exposure to O[subscript 2] results in adsorption of molecular O[subscript 2] characterized by three peroxo- or superoxo-like vibrational bands centered at 743, 856, and 957 cm[superscript –1] as observed by high resolution electron energy loss spectroscopy. These bands correspond to the stretch vibrational mode of O[subscript 2] at respective adsorption sites of type pseudo-3-fold fcc/hcp, degenerate-pseudo-2-fold fcc/hcp and bridge, and pseudo-3-fold bridge. These unusual chemical environments are brought about by surface alloying, rather than the presence of Au clusters on Ni, and are further stabilized by a dramatic reconstruction of the top two surface layers, as explained with an idealized surface alloy model in conjunction with electronic structure considerations. The ability to adjust the relative populations of the different oxygen cohorts by varying the Au content suggests the utility of surface alloy motifs for engineering applications.
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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) | 0.002 | 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".