Dresden 2017 – scientific programme

Parts | Days | Selection | Search | Updates | Downloads | Help

DF: Fachverband Dielektrische Festkörper

DF 14: Various Topics II

DF 14.6: Talk

Wednesday, March 22, 2017, 17:00–17:20, GER 37

Tailoring metal-organic frameworks for enhanced two-photon absorption — •Lydia Nemec, Raghavender Medishetty, Roland A. Fischer, and Karsten Reuter — Technische Universität München

Two-photon absorption (2PA) is exploited in a wide range of applications such as photonics, three-dimensional data storage or fluorescence microscopy. The performance of typical molecular 2PA materials is often hindered by low molecular stability and concentration. A promising new material class to overcome these limitations are metal-organic frameworks (MOFs). In a joined experimental and theoretical venture, we demonstrate how MOFs can be tuned for enhanced 2PA properties, outperforming any currently known solid-state material with 2PA values of up to 3600 GM. We investigate the origin of the enhanced 2PA cross section through time-dependent density-functional theory calculations on the level of van der Waals corrected hybrid exchange-correlation functionals. Systematically exploring the influence of charge transfer, molecular strain and constraints, as well as structural arrangement, we identify five design criteria to enhance 2PA in MOFs.