Adsorption and Dissociation of CO on a Fe−Co Alloy (110) Surface: A Theoretical Study
Bibliographic record
Abstract
The results from a density functional theory study on the structure and reactivity of CO adsorbed on the face-centered FeCo(110) surface were reported. It is found that CO adsorbs preferentially on the on-top (OT)−Co and long-bridge (LB)-Co sites with the computed binding energies ranging from 43 to 33 kcal/mol for 0.125 and 0.500 ML, respectively. The strong Co−CO bond is attributed to the alloy formation between Fe and Co that alters the local electronic structure of surface Co atoms. Several CO decomposition paths have been explored, and all paths are found to be endothermic, as in the cases of Fe(110) and Co(0001). The path that leads to scission of CO at the LB-Co site with formation of C and O adatoms coadsorbed at LB-Co and transcription factor (TF)-Co sites, respectively, is kinetically the most feasible ( E f = 45.4 kcal/mol) and least endothermic (Δ E = 10.6 kcal/mol). High reaction temperatures are thus necessary to facilitate the CO dissociation on FeCo(110).
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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 | 0.001 |
| 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".