Presentation
19 September 2017 Multiscale hopping-type charge transport simulation: the prediction and molecular-level analysis (Conference Presentation)
Author Affiliations +
Abstract
Charge transport is one of the most important factors for various devices. However, for organic devices, such as organic light-emitting diodes, charges are transported in amorphous molecular aggregates, and the prediction and detailed analysis has been difficult so far. Here, we show our recent study on multiscale charge transport calculations based on our preceding works[1,2]; the combination of quantum chemical calculations, molecular dynamics simulations, and kinetic Monte Carlo simulations. The calculations are performed by explicitly considering organic molecules, which allows detailed molecular level analysis. [1] Suzuki, F., Shizu, K., Kawaguchi, H., Furukawa, S., Sato, T., Tanaka, K. & Kaji, H., J. Mater. Chem. C 3, 5549 (2015). [2] Uratani, H., Kubo, S., Shizu, K., Suzuki, F., Fukushima, T. & Kaji, H., Sci. Rep. 6, 39128 (2016).
Conference Presentation
© (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Hironori Kaji "Multiscale hopping-type charge transport simulation: the prediction and molecular-level analysis (Conference Presentation)", Proc. SPIE 10362, Organic Light Emitting Materials and Devices XXI, 103620X (19 September 2017); https://doi.org/10.1117/12.2273524
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KEYWORDS
Monte Carlo methods

Chemical analysis

Organic light emitting diodes

Molecular aggregates

Molecules

Physics

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