Electron-phonon coupling and electron localization in layered crystalline organic frameworks

• Applicant: Professor Dr. Frank Ortmann
• Subject Area: Theoretical Condensed Matter Physics
• Term: since 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 511287670

Understanding electronic processes are key in organic electronics materials. Exploiting and controlling these processes is a great endeavour, in particular for an emerging class of materials such as covalent organic frameworks in the form of 2D COFs. This can only be successful if a detailed understanding is achieved. Here we simulate electronic and vibrational properties and investigate the influence of the strong electron-phonon interaction on electronic properties and carrier transport in prototypical 2D COFs. We will study density of states, transient carrier dynamics and transport as a function of temperature. The theoretical predictions will generate new knowledge that is directly inherited from the molecular structure. Unveiling this connection will therefore provide valuable insights and guidance for future research.

• DFG Programme: Research Grants