An Investigation of Ethylene Attachment to Si(111)–7 × 7 in the Restatom–Adatom Bridging Geometry: Electronic and Vibrational Properties
Bibliographic record
Abstract
The adsorption of ethylene on the bridge adatom–restatom position of the Si(111)–7 × 7 surface was studied with scanning tunneling microscopy, photoelectron spectroscopy, and theoretical calculations. The electronic structure and the corresponding vibrational states were calculated for a single molecule adsorbed in different binding sites located within the 7 × 7 unit cell. We found that there is no significant difference in the electronic structure between the absorption sites that were considered: center and corner adatom–restatom. Moreover, the different electron occupation of the restatoms and adatoms has a strong effect on the electronic structure of the adsorbed molecule near the Fermi level, and this leads to the reduction of the molecular symmetry to C s or even to C 1 . In the case of the Si 2p core level, beside the previously reported continuous quenching of the restatom state, we found clear evidence of the existence of a peak corresponding to the Si–C bond separated by 0.44 eV from the bulk component. Furthermore, for the vibrational analysis, isotopic substitution of C 2 H 4 with C 2 D 4, gave us more insight into the correct assignment of the modes in the experiment. Specifically, exceptional care must be taken with the allocation of the C–H wagging, twisting, and C–C stretching modes.
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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 | 0.001 | 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".