Design of efficient non-doped blue emitters: toward the improvement of charge transport.

ABSTRACT: Charge transport and electronic transition properties of a series of newly designed anthracene-based non-doped blue emitters were investigated by density functional theory calculations. For a highly efficient non-doped device, Cz3PhAn-based emitters were designed to suppress the hole and electron reorganization energies required for structural relaxation with respect to the changes of charged states. As a result, the hole hopping rates of triphenylamine (TPA) and phenylbenzimidazole (PBI) substituted Cz3PhAn derivatives (1, 4, and 5-7) were tremendously enhanced as compared to that of Cz3PhAn due to the suppression of the reorganization energy of holes, λ _h. Moreover, 1 and 4 emitters showed almost identical hopping rates of holes and electrons, which can possibly lead to

SUBMITTER: Kang S 

PROVIDER: S-EPMC9070764 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature