B14: The solvated Electron at the electrified solid/liquid interface: structure and dynamics from ab initio molecular dynamics simulations
Principal Investigators: Marialore Sulpizi
Team
Sulpizi, Marialore (Principal Investigator) |
Gomes, Anna (PhD) |
Description
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.
Publications
Thesis
- Anna K. M. Silva Gomes, PhD thesis - ongoing
The solvated Electron at the electrified solid/liquid interface: structure and dynamics from ab initio molecular dynamics simulations