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.

中文翻译：

---

评论：有机光伏器件的材料和建模

本综述对材料领域及其有机光伏器件中的有源层建模进行了简单的教学介绍。它给出了对过去工作的看法和对当前技术状态的总结。鉴于该领域正在发生极快的变化，希望这一贡献将成为这个引人入胜的主题的及时快照和教学切入点。此外，还给出了一个示例，说明建模如何使用领先的低带隙聚合物供体和非富勒烯受体对（PM6 和 Y6）增强对材料结构和质量的理解。© 2021 工业化学学会。