Molecularly defined bulk heterojunctions using complementary hydrogen-bonding
Bibliographic record
Abstract
Complementary hydrogen bonding is a powerful tool to control the solid-state packing of organic semiconductors.The supramolecular structure of organic semiconductors is a key parameter in determining their performance in organic electronic devices.In this thesis, we study the synthesis and characterization of organic donor and acceptor materials with an integrated three-point complementary hydrogen-bonding functionality with extended -conjugation.The structures presented include -extended naphthalenediimide (NDI) based and dipyrrolopyridine (P2P) based small molecules and polymers with lowered band gaps, which is desirable for applications in organic photovoltaic devices.Additionally, the -extended derivatives of P2P and NDI presents an opportunity to ne tune their solid state co-assembly.The electronic properties of the newly synthesized -conjugated structures are studied via optical spectroscopy, DFT calculations, and cyclic voltammetry. RsumLa liaison hydrogne complmentaire est un outil puissant pour contrler l'emballage l'tat solide des semi-conducteurs organiques.La structure supramolculaire des semi-conducteurs organiques est un paramtre importante dans la dtermination de leurs performances dans des dispositifs lectroniques organiques.Dans cette thse,nous tudions la synthse et la caractrisation des matires donneur et accepteur organiques avec un fonctionnalit de liaison hydrogne complmentaire avec leur -conjugaison prolonger.Les structures prsentes comprennent de petites molcules et des polymres base de dipyrrolopyridine et base naphthalenediimide avec leur avec -conjugaison prolonger.Les structures prsentes ont des applications potentielles dans des dispositifs photovoltaques organiques.En outre, les drivs de -tendu de P2P et NDI ore la possibilit de controller leur co-assemblage l'tat solide.Les proprits lectroniques des structures -conjugu nouvellement synthtiss sont tudies par la spectroscopie optique, des calculs de DFT et voltamtrie cyclique.
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How this classification was reachedexpand
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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.008 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.002 |
| 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 teacher head, 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".