Optical Properties of Monolayer and Few-Layer 2D Covalent Organic Frameworks (C05)

• Subject Area: Physical Chemistry of Solids and Surfaces, Material Characterisation ; Theoretical Chemistry: Molecules, Materials, Surfaces ; Theoretical Condensed Matter Physics
• Term: from 2020 to 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 417590517

The project will study and predict absorption/luminescence properties of single-/few-layer 2D COFs and stacked 2D COFs including specific chromophore linkers and connectors. It thus addresses the functionality of novel 2DMs. Initial model structures include boron dipyrromethene and phthalocyanine dyes, which will be synthesized and characterized by the CRC consortium. This will allow to better understand optical properties of 2D COFs and their few-layer analogues. MD, DFT and time-dependent DFT (TD-DFT) for the calculation of material parameters (electronic, electron-vibration parameters, transition dipoles, energies, etc.) will be employed.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1415: Chemistry of Synthetic Two-Dimensional Materials
• Applicant Institution: Technische Universität Dresden
• Project Head: Professor Dr. Frank Ortmann