Computational screen-out strategy for electrically pumped organic laser materials.

ABSTRACT: Electrically pumped organic lasing is one of the most challenging issues in organic optoelectronics. We present a systematic theoretical investigation to screen out electrical pumping lasing molecules over a wide range of organic materials. With the electronic structure information obtained from time-dependent density functional theory, we calculate multiple photophysical parameters of a set of optical pumping organic laser molecules in our self-developed molecular material property prediction package (MOMAP) to judge whether the electrically pumped lasing conditions can be satisfied, namely, to avoid reabsorption from excitons and/or polarons, and the accumulation of triplet excitons. In addition, a large oscillator strength of S₁ and weak intermolecular π-π interaction are pre

SUBMITTER: Ou Q 

PROVIDER: S-EPMC7478980 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature