Numerical algorithms based on Galerkin methods for the modeling of reactive interfaces in photoelectrochemical (PEC) solar cells

摘要

This work concerns the numerical solution of a coupled system ofself-consistent reaction-drift-diffusion-Poisson equations that describes themacroscopic dynamics of charge transport in photoelectrochemical (PEC) solarcells with reactive semiconductor and electrolyte interfaces. We present threenumerical algorithms, mainly based on a mixed finite element and a localdiscontinuous Galerkin method for spatial discretization, with carefully chosennumerical fluxes, and implicit-explicit time stepping techniques, for solvingthe time-dependent nonlinear systems of partial differential equations. Weperform computational simulations under various model parameters to demonstratethe performance of the proposed numerical algorithms as well as the impact ofthese parameters on the solution to the model.