Regensburg 2016 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 11: Poster: Hybrid and Perovskite Photovoltaics

CPP 11.11: Poster

Montag, 7. März 2016, 18:15–21:00, Poster B2

Revealing the structural properties of p-DTS(FBTTh₂)₂ with the help of MD-simulations — •Axel Bourdick and Stephan Gekle — Universität Bayreuth

With the advent of organic photovoltaics promising materials for organic solar cells have become a strong focus of research. One particular interesting manufacture strategy is the push-pull chromophore design, whereby an electron rich donor unit and an electron deficient acceptor unit are placed alternating on the same molecule.^[1,2] With the help of MD-Simulations we simulate the system p-DTS(FBTTh₂)₂. In particular we investigate the structure and conformation of aggregated states in different solvents, and various physical properties, like the free energy of the system in dependence of the distance between molecules.

[1]: Gendron, D.; Leclerc, M. New Conjugated Polymers for Plastic Solar Cells. Energy Environ. Sci. 2011, 4, 1225-1237.

[2]: Duan, C.; Huang, F.; Cao, Y. Recent Development of Push-Pull Conjugated Polymers for Bulk- Heterojunction Photovoltaics: Rational Design and Fine Tailoring of Molecular Structures. J. Mater. Chem. 2012, 22, 10416-10434.