Effects of Hydrogen Concentration and Cooling Speed on Fabrication of Hydrogenated Amorphous Silicon: Quantum Simulation
Bibliographic record
Abstract
In order to investigate various properties of hydrogenated amorphous silicon (a-Si:H) for improvement of low conversion efficiency and stability of solar cells, a series of quantum simulations based on the density functional theory combined with the tight binding model were performed for a-Si:H with various hydrogen concentrations and cooling rates.The radial distribution function (RDF) for Si-Si pairs indicates that samples with higher H concentration (20% and 25%) give a structure in better agreement with experiments, but the RDF of Si-H pairs suggests that samples with lower H concentration (14%) may give more appropriate structure.The coordination number (𝑁 𝑐 ) analysis indicates that more defects (dangling bonds and floating bonds) exist in 20% and 25% H concentration samples.Overall, a-Si:H with 14% H concentration gives most preferable structure.The cooling rate has also much effect on the structure.Sample with the slowest cooling rate is slightly more structured based on Si-Si pair RDF and 𝑁 𝑐 .The electron transport of a-Si and a-Si:H were evaluated and the superiority of a-Si:H was confirmed.
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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 | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 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".