Fan-Shaped Extending Conjugation Strategies for Achieving Narrowband Emissions of Boron–Nitrogen-Based Molecules

The Journal of Physical Chemistry A, Год журнала: 2025, Номер unknown

Опубликована: Фев. 6, 2025

Multiple-resonance thermally activated delayed fluorescence (MR-TADF) materials have attracted extensive attention due to their 100% exciton utilization efficiency and narrowband emissions. Numerous tube-shaped MR-TADF emitters with full-color emissions been reported, updated molecular design strategies need be proposed find more "recipes" narrow the emission spectral range. Upon changing shape of fluorophore from a tubular fan-shaped structure, investigated molecules exhibit based on analysis geometric electronic structures, reorganization energies, charge transfer characters upon excitation, absorption properties. The small energies short-range properties excitation are key narrowing range molecules. Such theoretical investigations give an in-depth insight into structure-property relationship, would provide important guidance for multiple-resonance

Язык: Английский

The novel adaptive graph neural network-based coke quality prediction for coal samples with missing properties in sustainable smart cokemaking applications

Fuel, Год журнала: 2025, Номер 397, С. 135377 - 135377

Опубликована: Апрель 16, 2025

Язык: Английский