A Drift-Diffusion-Reaction Model for Excitonic Photovoltaic Bilayers: Asymptotic Analysis and A 2-D HDG Finite-Element Scheme

Daniel Brinkman; Klemens Fellner; Peter A. Markowich; Marie-Therese Wolfram

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arXiv · 1202.0817

A Drift-Diffusion-Reaction Model for Excitonic Photovoltaic Bilayers: Asymptotic Analysis and A 2-D HDG Finite-Element Scheme

Daniel Brinkman·Klemens Fellner·Peter A. Markowich·Marie-Therese Wolfram

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Abstract

We present and discuss a mathematical model for the operation of bilayer organic photovoltaic devices. Our model couples drift-diffusion-recombination equations for the charge carriers (specifically, electrons and holes) with a reaction-diffusion equation for the excitons/ polaron pairs and Poisson's equation for the self-consistent electrostatic potential. The material difference (i.e. the HOMO/LUMO gap) of the two organic substrates forming the bilayer device are included as a work-function potential. Firstly, we perform an asymptotic analysis of the scaled one-dimensional stationary state system i) with focus on the dynamics on the interface and ii) with the goal of simplifying the bulk dynamics away for the interface. Secondly, we present a twodimensional Hybrid Discontinuous Galerkin Finite Element numerical scheme which is very well suited to resolve i) the material changes ii) the resulting strong variation over the interface and iii) the necessary upwinding in the discretization of drift-diffusion equations. Finally, we compare the numerical results with the approximating asymptotics.

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Daniel Brinkman, Klemens Fellner, Peter A. Markowich, Marie-Therese Wolfram. 2012-02-03. A Drift-Diffusion-Reaction Model for Excitonic Photovoltaic Bilayers: Asymptotic Analysis and A 2-D HDG Finite-Element Scheme. https://arxiv.org/abs/1202.0817

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