Borane Incorporation in a Non-Fullerene Acceptor To Tune Steric and Electronic Properties and Improve Organic Solar Cell Performance
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Bibliographic record
Abstract
Herein we study the effects of borane incorporation in a perylene diimide (PDI)-based non-fullerene acceptor (NFA). We have previously demonstrated that a PDI-bithiophene-PDI ((PDI)2Th2) compound can be synthesized via direct (hetero)arylation techniques and is easily modified to incorporate a phosphole in the bithiophene core ((PDI)2Th2PO) to tune the electronic and geometric properties. In this work, we have synthesized the borane analogue ((PDI)2Th2B) and demonstrated that the organoboron moiety heavily influences the optical, electronic, and geometric properties. To determine the effects of borane functionalization on device performance, green solvent solution-processed bulk-heterojunction solar cells were fabricated using a medium-gap donor polymer TTFQx-T1 and each PDI compound as the NFA, respectively. Devices with the new borane-containing compound provided the highest efficiency, more than twice that for the other compounds, which was attributed to a highly twisted structure allowing for a more favorable active-layer morphology to be formed.
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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 it