Multiscale modeling and simulation of organic solar cells

DOI10.1016/J.CMA.2012.06.018zbMATH Open1354.78009arXiv1206.1440OpenAlexW2076980994MaRDI QIDQ503940FDOQ503940

Authors: C. de Falco, Matteo Porro, Riccardo Sacco, Maurizio Verri 

Publication date: 24 January 2017

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Abstract: In this article, we continue our mathematical study of organic solar cells (OSCs) and propose a two-scale (micro- and macro-scale) model of heterojunction OSCs with interface geometries characterized by an arbitrarily complex morphology. The microscale model consists of a system of partial and ordinary differential equations in an heterogeneous domain, that provides a full description of excitation/transport phenomena occurring in the bulk regions and dissociation/recombination processes occurring in a thin material slab across the interface. The macroscale model is obtained by a micro-to-macro scale transition that consists of averaging the mass balance equations in the normal direction across the interface thickness, giving rise to nonlinear transmission conditions that are parametrized by the interfacial width. These conditions account in a lumped manner for the volumetric dissociation/recombination phenomena occurring in the thin slab and depend locally on the electric field magnitude and orientation. Using the macroscale model in two spatial dimensions, device structures with complex interface morphologies, for which existing data are available, are numerically investigated showing that, if the electric field orientation relative to the interface is taken into due account, the device performance is determined not only by the total interface length but also by its shape.

Full work available at URL: https://arxiv.org/abs/1206.1440

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zbMATH Keywords

multiscale analysisfinite element methodnumerical simulationscale transitionnonlinear reaction-diffusion system with electrostatic convectionorganic solar cell

Mathematics Subject Classification ID

Technical applications of optics and electromagnetic theory (78A55) Thermodynamics in solid mechanics (74A15) Electromagnetic effects in solid mechanics (74F15) Cell biology (92C37)

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Cited In (12)

• Modeling and simulation of organic solar cells
• Numerical study on short-circuit current of single layer organic solar cells with Schottkey contacts
• Multiscale simulation of organic heterojunction light harvesting devices
• Derivation and solution of effective medium equations for bulk heterojunction organic solar cells
• Hierarchical electrochemical modeling and simulation of bio-hybrid interfaces
• A multifield coupled thermo‐chemo‐mechanical theory for the reaction‐diffusion modeling in photovoltaics
• On the modeling and simulation of reaction-transfer dynamics in semiconductor-electrolyte solar cells
• Systematic derivation of a surface polarisation model for planar perovskite solar cells
• Asymptotic solution of a model for bilayer organic diodes and solar cells
• A mesoscopic lattice model for morphology formation in ternary mixtures with evaporation
• A computational framework to investigate charge transport in heterogeneous organic photovoltaic devices
• Solution map analysis of a multiscale drift-diffusion model for organic solar cells

Uses Software

• UMFPACK

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