Molecular Scale Models of Key Processes in Organic Photovoltaic Devices
Jenny Nelson a
a Department of Physics, Imperial College London, United Kingdom
International Conference on Hybrid and Organic Photovoltaics
Proceedings of Online International Conference on Hybrid and Organic Photovoltaics (OnlineHOPV20)
Online, Spain, 2020 May 26th - 29th
Organizers: Tracey Clarke, James Durrant, Annamaria Petrozza and Trystan Watson
Invited Speaker, Jenny Nelson, presentation 009
DOI: https://doi.org/10.29363/nanoge.onlinehopv.2020.009
Publication date: 22nd May 2020

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 the degree to which molecular level models and time-resolved device models can explain measurements both of charge carrier dynamics, and of overall device behaviour. We will then address the challenges in bringing the two approaches together into a single framework.

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