Theoretical modeling of charge transport in triphenylamine-benzimidazole based organic solids for their application as host-materials in phosphorescent OLEDs.

ABSTRACT: The dynamic disorder and electric field effects on charge transport in triphenylamine-benzimidazole based molecular solids have been investigated using electronic structure calculations, molecular dynamics and Monte-Carlo simulations. During the charge propagation, the energy loss of the carrier in each hopping step is monitored by Monte-Carlo simulation. We derive a survival probability correlated momentum-energy distribution for drift-diffusion analysis and we demonstrate the dispersion initiated charge trapping mechanism which is indeed ideal for light emission efficiency via recombination. In the present model, the proposed carrier drift energy-current density expression and Shockley diode current density equation are used to study the current density-voltage characteristics; ac

SUBMITTER: Navamani K 

PROVIDER: S-EPMC9085285 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature