Strong luminescence and high charge mobilities are conventionally considered as two exclusive properties. In this talk, a model Hamiltonian is proposed through localized diabatization to quantitative analyze electronic structure properties for various H-aggregates. We demonstrate that for certain investigated systems with high charge mobilities, the low-lying intermolecular charge-transfer state couples with the bright Frenkel exciton and converts the dark light-emitting state to a dipole-allowed bright state. A new descriptor which could characterize luminescence and mobility simultaneously is then constructed to provide a criterion for such conversion. This theoretical finding can not only rationalize recent experimental results, but unravel an exciting scenario where strong luminescence and high charge mobilities are compatible, which will therefore considerably broaden the aperture of novel design of organic light-emitting transistors (OLET) and electrically pumped lasing materials.

Mechanism and descriptor toward high mobility emissive materials

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.