Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H-Aggregates

28 April 2021, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


Superior organic light-emitting transistors (OLETs) materials require two conventionally exclusive properties: strong luminescence and high charge mobilities. We propose a three-state model through localized diabatization to quantitative analyze excited state structures for various herringbone (HB) H-aggregates and demonstrate that for some investigated systems, the low-lying intermolecular charge-transfer (CT) state couples with the bright Frenkel exciton (FE) and forms a dipole-allowed S1 that lies below the dark state, proceeding strong luminescence. Specifically, such conversion in luminescence properties occurs when the electron- and hole-transfer integrals ( and ) are of the same sign and is notably larger than the excitonic coupling (J), i.e., . This theoretical finding can not only explain and rationalize recent experimental results on DPA and dNaAnt, both with OLET property, but also unravel an exciting scenario where strong luminescence and high charge mobilities are compatible, which will considerably broaden the aperture of novel OLET design.


H aggregates
herringbone arrangement
photoluminescence emission


Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.