Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions

Leitherer S, Jager CM, Krause A, Halik M, Clark T, Thoss M (2017)


Publication Status: Published

Publication Type: Journal article

Publication year: 2017

Journal

Publisher: AMER PHYSICAL SOC

Book Volume: 1

Journal Issue: 6

DOI: 10.1103/PhysRevMaterials.1.064601

Abstract

In weakly interacting organic semiconductors, static disorder and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and electronic fluctuations into account. Here, we present a multiscale method based on a combination of molecular-dynamics simulations, electronic-structure calculations, and a transport theory that uses time-dependent nonequilibrium Green's functions. We apply the methodology to investigate charge transport in C-60-containing self-assembled monolayers, which are used in organic field-effect transistors.

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How to cite

APA:

Leitherer, S., Jager, C.M., Krause, A., Halik, M., Clark, T., & Thoss, M. (2017). Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions. Physical Review Materials, 1(6). https://doi.org/10.1103/PhysRevMaterials.1.064601

MLA:

Leitherer, Susanne, et al. "Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions." Physical Review Materials 1.6 (2017).

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