First-principles characterization of hybrid inorganic/organic interfaces (B04)

• Subject Area: Theoretical Condensed Matter Physics
• Term: from 2011 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 182087777

The main goal of this project is to provide a theoretical understanding of the factors that determine the atomic and electronic structure at inorganic/organic semiconductor interfaces and to further develop electronic structure methods that facilitate a reliable and computationally efficient description of hybrid inorganic/organic systems from first principles. In the second funding period, we will focus on the first-principles treatment of bulk doping, organic multilayers (thin films), as well as the first-principles treatment of electron-phonon coupling and disorder at the interface.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 951: Hybrid Inorganic/Organic Systems for Opto-Electronics (HIOS)
• International Connection: Finland
• Applicant Institution: Humboldt-Universität zu Berlin
• Co-Applicant Institution: Aalto University School of Science and Technology; Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI) ; Abteilung Theorie
• Project Heads: Professor Dr. Patrick Rinke; Professor Dr. Matthias Scheffler