Matteo Porro

Carlo de Falco, Matteo Porro, Riccardo Sacco et al.

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.

Emanuela Abbate, Matteo Porro, Thierry Nieus et al.

In this article we propose and investigate a hierarchy of mathematical models based on partial differential equations (PDE) and ordinary differential equations (ODE) for the simulation of the biophysical phenomena occurring in the electrolyte fluid that connects a biological component (a single cell or a system of cells) and a solid-state device (a single silicon transistor or an array of transistors). The three members of the hierarchy, ordered by decreasing complexity, are: (i) a 3D Poisson-Nernst-Planck (PNP) PDE system for ion concentrations and electric potential; (ii) a 2D reduced PNP system for the same dependent variables as in (i); (iii) a 2D area-contact PDE system for electric potential coupled with a system of ODEs for ion concentrations. The backward Euler method is adopted for temporal semi-discretization and a fixed-point iteration based on Gummel's map is used to decouple system equations. Spatial discretization is performed using piecewise linear triangular finite elements stabilized via edge-based exponential fitting. Extensively conducted simulation results are in excellent agreement with existing analytical solutions of the PNP problem in radial coordinates and experimental and simulated data using simplified lumped parameter models.