Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142252 - 142252
Published: March 1, 2025
Language: Английский
Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142252 - 142252
Published: March 1, 2025
Language: Английский
Advances in heterocyclic chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Language: Английский
Citations
0Published: Jan. 1, 2025
Language: Английский
Citations
0The Journal of Physical Chemistry B, Journal Year: 2025, Volume and Issue: 129(11), P. 3109 - 3119
Published: March 6, 2025
The development of nonfused ring electron acceptors (NFREAs) has garnered significant attention due to their simplified molecular design and cost-effectiveness. Recent advancements have pushed the power conversion efficiency (PCE) NFREAs beyond 19%. Despite these advantages, most adopt A-D-A structures, where electron-donating core is typically a benzene substituted with fluorine or alkoxy groups. This restricts tunability energy levels, selection substituents for rings as central units relatively constrained, which hampers further optimization material properties. In this work, we designed three A-D-A′-D-A structured fully featuring distinct nitrogen heterocyclic cores: linear-shaped TT, star-shaped TYT, quad-rotor-shaped TTVP. nitrogen-containing aromatic units, strong electron-withdrawing groups, enable precise tuning levels. Moreover, cores enhance rigidity, facilitating efficient π–π stacking improving mobility. Although share identical π-bridges terminal unique exert divergent effects on photovoltaic performance. Theoretical calculations reveal that TT TTVP exhibit higher affinity, greater absorption intensity, lower exciton binding energy, mobility compared high-performance reference NFREA, TBT-26. Notably, TTVP, an four exhibits exceptional electronic It achieves highest narrowest bandgap 1.76 eV, predicted 4.43 × 10–4 cm2 V–1 s–1, surpassing These findings underscore potential in diversifying NFREA advancing next-generation NFREAs.
Language: Английский
Citations
0Journal of Materials Chemistry C, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Substituents of the quinoxaline core influence aggregation properties S-shaped acceptors.
Language: Английский
Citations
0Journal of Molecular Structure, Journal Year: 2025, Volume and Issue: unknown, P. 142252 - 142252
Published: March 1, 2025
Language: Английский
Citations
0