Experimental and Theoretical Exploration of the Anisotropy of Styrene Diffusion on Hydrogen Terminated Si(100)-2 × 1
Bibliographic record
Abstract
The anisotropy associated with the diffusion of styrene on the hydrogen-terminated silicon(100)-2 × 1 surface arises largely because of the surface reconstruction. This anisotropy was determined by using a novel scanning tunneling microscopy (STM) technique and by a combination of dispersion-corrected density functional theory (DFT) with Monte Carlo (MC) simulations. The STM tip was used to create a box of clean silicon surrounded by H−Si. Styrene molecules diffuse from the H−Si surface to the clean surface, where they stick with unit probability. The reduction of the box dimensions following the room-temperature diffusion of styrene are measured using STM and reflect the diffusion anisotropy without influence from the STM tip. DFT calculations were used to compute the dispersion binding of styrene on H−Si as well as the barrier heights associated with diffusion. These data were used to provide input for the MC diffusion simulations. Experiment and theory predict results that are in excellent agreement, viz., slight diffusion anisotropies of 1.1 ± 0.1 and 1.06 ± 0.04, respectively.
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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 | 0.001 |
| 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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".