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O: Fachverband Oberflächenphysik

O 46: Electron-Driven Processes at Surfaces and Interfaces

O 46.5: Talk

Wednesday, March 29, 2023, 11:30–11:45, CHE 91

Understanding triplet-exciton transfer dynamics at the Si-tetracene interface — •Marvin Krenz — Universität Paderborn

Singlet-exciton fission in a tetracene overlayer and the subsequent triplet-exciton transfer into a silicon solar cell appears as promising approach to harvest high-energy photons [1]. However, the details of the exciton transfer and its dependence on the interface atomic structure are not understood. In the present contribution we employ ab initio non-adiabatic molecular dynamics to study the exciton transfer in atomistic detail. It is found that interface defects as well as thermal activation are instrumental for the exciton transfer from the organic overlayer into the Si bulk material.

[1] J.M. Luther, J.C. Johnson, Nature 571, 38 (2019)