Computational insights into the synergistic modulation of Δ E ST , spin–orbit coupling, and reorganization energy in phthalimide-based TADF emitters
Abstract
Computational design of phthalimide emitters identifies reorganization energy as a key parameter, alongside singlet–triplet gap, spin–orbit coupling, and through-space charge transfer, governing fast reverse intersystem crossing in TADF materials.
Fields of Study & Subjects
Organic Light-Emitting Diodes Research
Organic Electronics and Photovoltaics
Luminescence and Fluorescent Materials
Publication details
- Journal / source
- Journal of Materials Chemistry C
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 14
- Issue
- 18
- Pages
- 7720–7735
- Publication date
- 1 January 2026
- Language
- EN