SFB 1249:  N-Heteropolyzyklen als Funktionsmaterialien

• Subject Area: Chemistry ; Computer Science, Systems and Electrical Engineering ; Physics
• Term: since 2017
• Website: Homepage
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 281029004

The aim of this research consortium is the development of novel organic functional materials with specifically tunable electronic properties and their application as photoactive components and organic semiconductors. The concept is based on the N  CH isosteric relationship (as well as NH  [CH]- isosterism) in combination with the number and ring size of condensed heteropolycycles in order to specifically tailor their electronic and optical properties while leaving their molecular shapes unchanged. Prerequisite for a rational approach to these new materials is a detailed insight into the underlying elementary processes, including those of molecular aggregation (and its control through weak intermolecular interactions), the structure formation at interfaces, electronic excitation as well as charge transport. The research plan comprises the whole spectrum ranging from synthetic method delevopment, structural and spectroscopic characterization and theoretical modeling of molecules, small aggregates and solid films. Of particular interest is the way in which molecular properties are related to the optoelectronic materials and device properties. A new focus will be the investigation of N-heterocyclic radicals and diradicals which show interesting charge transport and non-linear optical properties. During the course of the next funding period, there will be a focus on new aspects of photophysics, in particular on molecular polaritonics and thus, the investigation and application of the effects of resonant microcavities on molecules.

• DFG Programme: Collaborative Research Centres

Current projects

• A01 - Synthesis and Properties of Novel N-Heteroacenes and N-Heteroarenes (Project Head Bunz, Uwe F. H. )
• A02 - Azapyrene- & Azaperopyrene-Derivatives as Organic Functional Materials (Project Head Gade, Lutz H. )
• A03 - Azaindolocarbazoles and -Extended Phenanthridine Derivates as Organic Materials (Project Head Hashmi, A. Stephen K. )
• A04 - Nonplanar Heterocyclic Electron Acceptor Molecules for Organic Electronics (Project Head Mastalerz, Michael )
• A05 - Electron Donors of Different Dimensionality Derived from Bridged Triphenylamines (Project Head Kivala, Milan )
• B01 - Theoretical Description and Prediction of Molecular Properties of N-heteropolycycles and Transport Properties in the Bulk (Project Head Dreuw, Andreas )
• B02 - Multi-Scale Modeling of Energy and Charge Transfer in N-heteropolycycles (Project Head Elstner, Marcus )
• B03 - Spectroscopic investigation of N-heteropolycyclic molecules by matrix isolation (Project Head Himmel, Hans-Jörg )
• B04 - Investigation of the Ultrafast Dynamics of Heteropolycycles with Multidimensional Femtosecond Spectroscopy (Project Heads Buckup, Tiago ;  Motzkus, Marcus )
• B05 - Visualization of Structure - Function Relationships by Electron Microscopy (EM) (Project Head Schröder, Rasmus R. )
• B06 - Interfaces with N-heteropolycycles: Morphologies, Electronic Properties and Dynamics of Electronically Excited States (Project Head Tegeder, Petra )
• B07 - Theoretical Modeling of Small Clusters of N-heteropolycycles (Project Head Höfener, Sebastian )
• B08 - Dynamical Pathways of N-heteropolycycles in the Strong Light-Matter Coupling Regime (Project Head Vendrell, Oriol )
• C01 - Fabrication, Characterization and Integration of Organic Thin-Film Transistors (Project Head Klauk, Hagen )
• C06 - Charge Transport and Intermolecular Vibrations in Crystalline Semiconducting N-heteropolycycles (Project Head Zaumseil, Jana )
• C07 - Bipolar Materials Based on N-heterocycles for Novel Memory Applications (Project Head Kemerink, Martijn )
• C08 - Control of the Aggregation Behaviour of N-Heteropolycycles (Project Head Backes, Claudia )
• C09 - Strong Light-Matter Coupling with N-heteropolycycles and their Radicals (Project Head Zaumseil, Jana )
• C10 - Theoretical Investigation of Stability and Reactivity of Open-Shell N-Heteropolycycles (Project Head Gryn`ova, Ganna )
• Z - Central Tasks (Project Head Gade, Lutz H. )

Completed projects

• C02 - N-Heteropolyzyklen on Graphene Substrates (Project Head Backes, Claudia )
• C03 - Characterization of Molecular Interaction in the Condensed Phase and at Interfaces by IR-Spectroscopy (Project Head Pucci, Annemarie )
• C04 - Investigating the optoelectronic properties of N-heterocyclic compounds and their application in photovoltaic diodes (Project Head Vaynzof, Yana )
• C05 - Charge-carrier Mobility in Self-assembled Monolayers (Project Heads Bunz, Uwe F. H. ;  Wöll, Christof )

• Applicant Institution: Ruprecht-Karls-Universität Heidelberg
• Participating University: Karlsruher Institut für Technologie
• Participating Institution: Max-Planck-Institut für Festkörperforschung (MPI-FKF)
• Spokesperson: Professor Dr. Lutz H. Gade