Publication on simulations of field-induced dissociation experiments in organic semiconductor materials such as used for OLEDs. Accepted for publication in Physical Review B (2015).
Paper abstract: Three-dimensional Kinetic Monte Carlo (3D-KMC) simulations are used to investigate the sensitivity to material parameters of the photoluminescence (PL) efficiency curves that are obtained from field-induced dissociation (FID) experiments of devices that are based on disordered small-molecule organic semiconductors. The study contains a comparison with the results of a simplified one-dimensional Master Equation model [O. Rubel et al., Phys. Rev. Lett. 100, 196602 (2008)], and with two-dimensional simulation results. The error-function-like efficiency curves show a field-sensitivity that is strongly determined by the average exciton binding energy, Eexc,b. However, the shape of the efficiency curves is also affected by other material properties, such as the energetic disorder, the
hopping attempt rate, the relative permittivity, the radiative lifetime and various other parameters. A sensitivity analysis shows that for materials with Eexc,b ≈ 1.0 eV the results of FID experiments are nevertheless expected to enable determining Eexc,b with an accuracy of 0.10−0.15 eV. Carrying out FID experiments is therefore expected to become a useful route to quite accurately obtain the electron affinity from the ionization energy, the optical gap and this measured value of Eexc,b.
" authors: - family-names: de Jong given-names: Eline - family-names: Gottardi given-names: Stefano - family-names: van Eersel given-names: Harm orcid: "https://orcid.org/0000-0003-4086-1887" - family-names: Coehoorn given-names: Reinder orcid: "https://orcid.org/0000-0003-1634-1718" title: "Data underlying publication "Electron affinity and binding energy of excitons in disordered organic semiconductors. I. Simulation-assisted analysis of field-induced exciton dissociation experiments"" keywords: version: 1 identifiers: - type: doi value: 10.4121/25c6f9ca-7565-4155-9244-8f5f0e791b26.v1 license: CC BY-SA 4.0 date-released: 2025-10-27