Review: materials and modelling for organic photovoltaic devices

O Doat and BH Barboza and A Batagin-Neto and D Begue and RC Hiorns, POLYMER INTERNATIONAL, 71, 6-25 (2022).

DOI: 10.1002/pi.6280

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). (c) 2021 Society of Industrial Chemistry.

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