We present theoretical studies of elementary exciton and charge transfer processes in functional organic materials, in view of understanding the key microscopic factors that lead to efficient charge generation in photovoltaics applications. As highlighted by recent experiments, these processes can be guided by quantum coherence, despite the presence of static and dynamic disorder. Our approach combines first-principles parametrized Hamiltonians, based on Time-Dependent Density Functional Theory (TDDFT) and/or high-level electronic structure calculations, with accurate quantum dynamics simulations using the Multi-Configuration Time-Dependent Hartree (MCTDH) method. This contribution specifically addresses charge generation in a novel class of highly ordered oligothiophene-perylene diimide type co-oligomer assemblies, highlighting that chemical design of donor/acceptor combinations needs to be combined with a detailed understanding of the effects of molecular packing.
Matthias Polkehn, Pierre Eisenbrandt, Hiroyuki Tamura, Stefan Haacke, Stéphane Méry, and Irene Burghardt, "Ultrafast excitonic and charge transfer dynamics in nanostructured organic polymer materials," Proc. SPIE 9884, Nanophotonics VI, 98840O (Presented at SPIE Photonics Europe: April 05, 2016; Published: 18 April 2016); https://doi.org/10.1117/12.2230314.
Conference Presentations are recordings of oral presentations given at SPIE conferences and published as part of the conference proceedings. They include the speaker's narration along with a video recording of the presentation slides and animations. Many conference presentations also include full-text papers. Search and browse our growing collection of more than 14,000 conference presentations, including many plenary and keynote presentations.
Study of self-shadowing effect as a simple means to realize nanostructured thin films and layers with special attentions to birefringent obliquely deposited thin films and photo-luminescent porous silicon