Multiscale simulation of spectroscopic properties of B3PYMPM--CBP exciplexes in OLEDs

• Published in: Mendeleev communications Vol. 35; no. 3; pp. 320 - 323
• Main Authors: Dubinets, Nikita Olegovich, Freidzon, Alexandra Ya
• Format: Journal Article
• Language: English; Russian
• Published: 2025

Using polarizable continuum model, QM/MM and effective fragment potential (EFP) approaches, exciplex luminescence at the interface of two organic semiconductors, electron transporter B3PYMPM and hole transporter CBP, was simulated taking into account their environment. The effects of multiple nonequ...