Device-scale and Molecular-scale Modelling of Organic Photovoltaic Devices
Jenny Nelson a, Mohammed Azzouzi a, Jun Yan a
a Department of Physics, Imperial College London, United Kingdom
Materials for Sustainable Development Conference (MATSUS)
Proceedings of nanoGe Fall Meeting19 (NFM19)
#OPV19. Organic Photovoltaics: recent breakthroughs, advanced characterization and modelling
Berlin, Germany, 2019 November 3rd - 8th
Organizers: Jörg Ackermann and Uli Würfel
Invited Speaker, Jenny Nelson, presentation 285
DOI: https://doi.org/10.29363/nanoge.nfm.2019.285
Publication date: 18th July 2019

In organic heterojunction devices, current generation results from the sequence of photon absorption, charge separation, and charge collection in competition with recombination. To understand and design organic PV devices, we need models of these processes that incoporate both the device architecture and the molecular nature of the materials. Device models work fairly well in describing charge collection and recombination, and resulting curent-voltage curves, but usually with some empirical form for the charge generation efficiency and recombination coefficients. A full description of microscopic processes such as interfacial charge transfer requires molecular scale models. For design purposes, we would like to be able to predict device behaviour from the properties of the molecular components, but it is challenging to combine these aspects in a single model. In this talk we will discuss how time-resolved device models and measurements can be used to probe charge recombination at a device level, while molecular models of charge transfer are able to successfully describe charge dynamics as probed spectroscopically. We will then address the challenges in bringing the two approaches together into a single framework.

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