Review: materials and modelling for organic photovoltaic devices

Abstract

This review gives a simple and pedagogical introduction to the field of materials and their modelling for the active layer in organic photovoltaic devices. It gives a perspective on past work and a summary of the current state of the art. Given the extremely fast changes on-going in this field, it is hoped that this contribution will serve as both a timely snapshot and a pedagogical entry point to this fascinating subject. Furthermore, an example is given of how modelling can enhance the understanding of the structures and qualities of materials using a leading low-bandgap polymer donor and non-fullerene acceptor pair (PM6 and Y6). © 2021 Society of Industrial Chemistry.