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This software tool is used to generate model bulk heterojunction morphologies for organic photovoltaic device simulations. The tool creates a three-dimensional cubic lattice and randomly assigns each site as a donor or acceptor site. Then a simulated phase separation process is executed in which donor and acceptor domains form and grow in size. In the end, a random bicontinuous nanostructured morphology is formed and output to the user. Several characteristics of the generated morphology, including domain sizes, tortuosity, and interfacial-area-to-volume ratio, are calculated and output to the user as well. Morphologies generated with this tool are particularly useful for kinetic Monte Carlo simulations of organic photovoltaic devices. A peer-reviewed article describing the development and application of this tool is published in Physical Review Applied and the preprint manuscript can be accessed on arXiv. This tool is derived from the open-source software package Ising_OPV available on Github. If you have any questions or would like to see new features added, please let me know. If you are interested in customizing this tool for a specific use, I am open to collaboration.
Thank you to Prof. Ali Dhinojwala, Prof. Carsten Deibel, and Prof. Vladimir Dyakonov for supporting this work.
The University of Akron and the University of Würzburg