Design and properties of new dendritic macromolecules substituted by several triarylamines for organic photovoltaic applications based on Carbazole and Thiophene
Bibliographic record
Abstract
Abstract This work proposes a theoretical study of the geometric and optoelectronic properties of some dendritic macromolecules consisting mainly of thiophene and carbazole. First, calculations were performed on a basic molecule called G2TTPG2 3T using the density functional theory (DFT) and varying between 5 different quantum methods to be able to choose the most appropriate which will then be applied to the derivatives of this molecule during the rest of this work, these derivatives were obtained by grafting the following groups: CN, EDOT-S, OH, OHOH, EDOT, F. The objective of this work is to study the effect of this chemical modification, better explore the structure-property relationship and also to search for compounds with the best optoelectronic properties in order to present them for synthesis. The results obtained reveal that the substitution by some groups has reduced the energy of the gap, decreased inter-cyclic distances and increased the value of the open circuit voltage.
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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".