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TU Dresden » Faculty of Mechanical Science and Engineering » Institute for Materials Science » Chair of Materials Science and Nanotechnology

» presentations   » 2016.03.8

Charge transfer energies for organic donor acceptor pairs

Janna Elisabeth Rückert, Sebastian Schellhammer, Gianaurelio Cuniberti and Frank Ortmann

DPG Frühjahrstagung der Sektion Kondensierte Materie (SKM)

2016.03.8; Regensburg, Germany

Organic solar cells depend heavily on the energetics close to the donor acceptor interface. We theoretically investigate the excitations of donor acceptor pairs based on C60 molecules and varying donor species. By means of time-dependent density functional theory simulations, we analyze the charge transfer energy and the absorption strength. We investigate the influence of the geometric configuration on the excitation energy and on the oscillator strength and find that the configuration of the molecular dimer has a strong impact on the absorption strength while the CT energy is weakly affected.

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Prof. Dr. Gianaurelio Cuniberti
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