Principal Investigator: Prof. Dr. Siegfried Eigler

Located at: Freie Universität Berlin

Project C01 synthesizes new emissive dyes like perylenes and nanographenes, along with donor and acceptor molecules designed to control their orientation on graphene-based materials. By adjusting molecular spacers, the project fine-tunes the distance and interaction between molecules and 2D surfaces, enabling precise control over charge transfer and carrier density in 2D semiconductors.

Experimental methods: organic synthesis of dyes and donor/acceptor molecules

Principal Investigator: Dr. Xin Chen

Located at: Freie Universität Berlin

Project C02 develops precise chemistry methods to attach dyes and charge-transfer molecules to 2D TMD materials. It creates novel covalent TMD hybrids with controlled coverage, location, and orientation of molecules, including Janus-type monolayers and bilayers, to tailor their optical and electronic properties for advanced functional materials.

Experimental methods: covalent functionalization, surface photochemistry, nanofilm patterning and transfer, Raman spectroscopy, and time-of-flight secondary ion mass spectrometry

Principal Investigator: Prof. Dr. Sebastian Hasenstab-Riedel

Located at: Freie Universität Berlin

Project C03 explores halide–carbon interactions to better understand the intercalation process in 2D materials such as graphite, few-layer graphene, and carbon nanotubes. It investigates how charge transfer and confinement affect the structure and reactivity of intercalated species. Using in situ synthesis of polyhalide compounds, the project monitors these changes in real time with Raman scattering techniques.

Experimental methods: intercalation, Raman scattering

 

Principal Investigator: Prof. Dr. Beate Paulus

Located at: Freie Universität Berlin

Project C04 uses first-principles methods to predict electronic and optical properties of molecules, 2D materials, and their hybrids. It studies halogen intercalation in graphite and graphene, exploring polyhalogen formation and charge transfer. The project also models Janus-functionalized TMDs, doping effects, and molecular dyes, calculating spectroscopic and STM signatures to guide and compare with experiments.

Theoretical methods: DFT-based methods

Principal Investigator: Dr. Antonio Setaro

Located at: Freie Universität Berlin

Project C05 studies one-dimensional molecular lattices using nanotubes as templates to create aligned molecular chains, forming giant J-aggregates with collective excitations. The project explores these states through luminescence, absorption, and Raman scattering, and investigates how molecular switches inside nanotubes affect emission. It also examines charge transfer and polyhalide chain formation using ionic liquids and donor/acceptor molecules.

Experimental methods: filling of nanotubes, photoluminescence excitation (PLE) spectroscopy, absorption (UV-vis), Raman spectroscopy

Principal Investigator: Prof. Stefan Hecht, Ph.D.

Located at: Humboldt-Universität zu Berlin

Project C06 explores molecular photochromism within TMDs, graphene, and nanotubes to understand and control the optoelectronic properties of hybrid materials. Using diarylethenes with large FMO shifts it aims to influence excitonic insulator phase transitions in TiSe₂ and TaNiSe₅, while the photoswitching behavior of dihydropyrenes and spiropyrans with large dipole changes will be controlled by strong external electric fields.

Experimental methods: organic synthesis of photoswitches, nuclear magnetic resonance (NMR), mass spectrometry, thermal gravimetric analysis (TGA), absorption (UV/vis)