Adsorption Kinetics of Hydrogen Sulfide and Thiols on GaAs (001) Surfaces in a Vacuum
Bibliographic record
Abstract
Adsorption mechanisms of hydrogen sulfide and alkanethiols on GaAs (001) surfaces prepared in a vacuum were studied using first principles calculations. The need for a physisorbed precursor was confirmed based on energetic arguments and molecular dynamics simulations of the transition from a physisorption to a chemisorption state. The preference for S−Ga bond formation was found, resulting from a weak non-dissociative chemisorption state formed by the overlap of a sulfur lone pair orbital with an empty Ga dangling bond. Physisorption energies and the height of the transition barrier from physisorption to chemisorption on GaAs were found to be very similar to those on gold, while the main difference from gold was that hydrogen remains on the GaAs surface upon S−H cleavage. Obtained results allowed for a more advanced interpretation of experimental data concerning H 2 S and thiol adsorption on GaAs.
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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 | 0.000 |
| 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) | 0.000 | 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".