Tuning the Electronic Properties of a Boron-Doped Si(111) Surface by Self-Assembling of Trimesic Acid
Bibliographic record
Abstract
The influence of self-assembled trimesic acid (TMA) on the electronic properties of a heavily boron-doped silicon surface was investigated using first-principles DFT calculations. Our results demonstrate that the adsorption of isolated TMA molecules, small molecular islands, or complete monolayers is characterized by significant adsorption energy and electron charge transfer to the Si–B interface, while the bonding character of TMA to the surface remains essentially noncovalent. The stability of the adsorbed species was ensured by an attractive interaction from the Si–B interface but also through the formation of hydrogen bonds between TMA units. Beyond this significant stability of the different TMA adlayers, the weak dispersion and the energy level position of states associated with the TMA moieties observed in the band gap region of the Si–B interface suggest that the adsorbed layer can be used to tune the electronic properties of the substrate.
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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) | 0.001 | 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".