Organic light-emitting diodes: Multiscale charge transport simulation and fabrication of new thermally activated delayed fluorescence (TADF) materials

Hironori Kaji, Katsuyuki Shizu, Furitsu Suzuki, Tatsuya Fukushima, Katsuaki Suzuki, Chihaya Adachi

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Charge transports in amorphous thin films with 100 nm thickness are investigated in silico by explicitly considering organic molecules. The amorphous layer of organic molecules was constructed using molecular dynamics simulations. The rate constants for charge hopping between two organic molecules, extracted from the amorphous layers, were calculated based on quantum chemical calculations. The hopping transport in amorphous layers was simulated using a Monte Carlo method. The hole mobility was calculated to be several times larger than the electron mobility, which was consistent with the experimental results. The Monte Carlo simulation also shows that diffusion transport is dominant at low applied electric fields and that contribution of drift transport increases at high electric fields. The simulation in this study enables us to reveal molecular origin of charge transport. In the presentation, we will show the results on recently-developed new thermally activated delayed fluorescence materials and the device performances.

Original languageEnglish
Title of host publicationOrganic Light Emitting Materials and Devices XIX
EditorsFranky So
PublisherSPIE
ISBN (Electronic)9781628417326
DOIs
Publication statusPublished - Jan 1 2015
EventOrganic Light Emitting Materials and Devices XIX - San Diego, United States
Duration: Aug 9 2015Aug 11 2015

Publication series

NameProceedings of SPIE - The International Society for Optical Engineering
Volume9566
ISSN (Print)0277-786X
ISSN (Electronic)1996-756X

Other

OtherOrganic Light Emitting Materials and Devices XIX
CountryUnited States
CitySan Diego
Period8/9/158/11/15

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Computer Science Applications
  • Applied Mathematics
  • Electrical and Electronic Engineering

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  • Cite this

    Kaji, H., Shizu, K., Suzuki, F., Fukushima, T., Suzuki, K., & Adachi, C. (2015). Organic light-emitting diodes: Multiscale charge transport simulation and fabrication of new thermally activated delayed fluorescence (TADF) materials. In F. So (Ed.), Organic Light Emitting Materials and Devices XIX [95660B] (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 9566). SPIE. https://doi.org/10.1117/12.2189078