High-throughput Morphology Prediction for Organic Solar Cells
Organic photovoltaic cells (OPVs) are alternatives to conventional solar cells as they promise low-cost mass production combined with lightweight and flexible applications. Many OPV materials have been reported in the literature, but few have shown efficiencies greater than 8%. The key challenge is to design materials that fulfill all the requirements. Predicting the nanoscale morphology remains one of the biggest challenge in predicting OPV performance. This project aims at an integrated research plan for the high throughput morphology prediction of OPV materials. A continuous feedback loop between theory, synthesis and characterization will facilitate the exchange of results and streamline the overall development process. A central theme of this project is to develop high-throughput techniques for computational morphology calculation and experimental characterization. The computational development takes advantage of the massive computing power provided by distributed volunteer computing networks. An extensive results and reference database will serve as the hub for the information exchange between the three participating groups. The vast amount of data accumulated in the course of this project will provide the foundation for a better understanding of the molecular structure/morphology correlations, and it will be an openly available resource for the OPV community.
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