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E3.1 - Modeling steady-state charge and exciton transport in molecular clusters, crystals, and templated interfaces


Principle Investigator: Dr. Daniele Fazzi & Prof. Stefan Grimme

The aim of this study is the modeling of exciton and charge transport mechanisms and mobility in supramolecular clusters and organic templated interfaces. The ultimate goal is to understand the impact of the templating-induced order on the exciton and charge transport properties of mono- and multi-layer structures.

The project will involve a joint collaboration between the University of Cologne (Dr. Daniele Fazzi) and University of Bonn (Prof. Stefan Grimme).


[1] D. Fazzi, S. Fabiano, T.-P. Ruoko, K. Meerholz, F. Negri, J. Mater. Chem. C 7, 12876 (2019)

[2] A. Luzio, F. Nübling, J. Martin, D. Fazzi, P Selter, E. Gann, C. R. McNeill, M. Brinkmann, M. Ryan Hansen, N. Stingelin, M. Sommer, M. Caironi, Nat. Comm. 10, 3365 (2019).

[3] D. Fazzi, M. Barbatti, W. Thiel, J. Phys. Chem. Lett. 8, 4727 (2017).

[4] D. Fazzi, M. Caironi, Phys. Chem. Chem. Phys. 17, 8573 (2015).