The solvated Electron at the electrified solid/liquid interface: structure and dynamics from ab initio molecular dynamics simulations (B14)

• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: since 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 327886311

The solvated electron plays a key role in the field of plasma/liquid and plasma/solid/liquid interfaces as the primary reducing agent. The project aims to provide a structural and dynamical characterization of the solvated electron in the presence of applied electric fields, in different environments, which include liquid interfaces in contact with a conducting or insulating solid, using atomistic molecular dynamics simulations, which also include the electronic structure.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1316: Transient atmospheric plasmas - from plasmas to liquids to solids
• Applicant Institution: Ruhr-Universität Bochum
• Project Head: Professorin Dr. Marialore Sulpizi