Electrochemical processes play a major role in the current energy transition. They make batteries, fuel cells and electrolysers work. Despite this importance, the properties of electrode – electrolyte interfaces at which these processes occur, are rather poorly understood at the molecular level. To address this issue, this project aims to combine atomic force microscopy (@University of Twente) with theory and modeling (@Leiden University).
While electrochemical atomic force microscopy (AFM) bares the promise to combine atomic scale imaging with force spectroscopy, the interpretation of such measurements remains tentative without detailed modeling. In the current project, Prof. Mugele’s PCF group at Twente and the Theoretical Electrochemistry group lead by Ass. Prof. Doblhoff-Dier at Leiden University team up to combine high resolution AFM experiments (PhD2 @ Twente) and atomistic modelling (PhD1 @ Leiden).
The Faculty of Science Leiden and Theoretical Electrochemistry group lead by Katharina Doblhoff-Dier are looking for a PhD candidate focusing on unravelling properties of the electrode – electrolyte interface via atomistic and mean-field simulations.
During the PhD project, you will develop simulations and simulation protocols that allow us to interpret the atomic force spectroscopy measurements. Additionally, you will provide fundamental insight into the hydration at the interface and its influence on simple chemical reaction. You will achieve this by applying a mixture of mean field modeling and atomistic modeling. Atomistic modeling will include force-field molecular dynamics, density functional theory (DFT) and DFT-based molecular dynamics, and machine learned potentials.
The theoretical electrochemistry group lead by Katharina Doblhoff-Dier offers a friendly and open working environment. Our group members are passionate about their research and each of them are an expert in their field, allowing new group members to quickly learn and become experts themselves. The close connection to the experimental electrochemistry group at Leiden University lead by Marc Koper is an additional benefit.
For the project described above, we are seeking an ambitious and enthusiastic PhD candidate showing strong independence in their work.
