Modeling of electrochemical interfaces from an experimental viewpoint.

Speaker: Anja Bieberle (DIFFER)
Time: Apr. 18, 2019, 10:00–11:00
Location: Differ, Alexander-zaal

Electrochemical interfaces are the heart of many alternative, sustainable energy applications. They are determining the efficiency and the overall performance. However, in most cases we do not know what processes take place at the interface and which processes are limiting the performance. Experimental electrochemical measurement methods cannot measure mechanisms or species directly. Analysis methods, such as equivalent circuit fitting for electrochemical impedance data, do not allow to link the electrochemistry directly to the measurement data.

In this talk, we introduce the audience to this dilemma with the case study of photo-electrochemical water splitting. We show most recent electrochemical, experimental results on metal oxide – electrolyte interfaces and show the limitations of experimental studies in analyzing the limiting processes at the interface. We then introduce our new modeling approach that allows us simulating electrochemical data (current – voltage, electrochemical impedance) directly from an electrochemical model. We compare the simulated, electrochemical data to experimental data and show that we can even simulate data which is experimentally not available, but highly desired.

The CCER seminars are aimed at researchers interested in computational approaches to (energy) research. The seminar is small-scale, typically 15 participants, and interactive, offering lots of room for discussion. If you don't have access to the DIFFER building but would like to attend, just This email address is being protected from spambots. You need JavaScript enabled to view it. .


Force fields for fusion materials and plasma material interaction.

Speaker: Bas Braams (CWI, Amsterdam)
Time: March 14, 2019, 10:00–11:00
Location: Differ, Alexander-zaal

I will present a perspective on the status and needs of computational tools for plasma-material interaction and primary radiation damage, using as motivation work done in a recent IAEA Coordinated Research Project on Plasma-Wall Interaction with Irradiated Tungsten and Tungsten Alloys in Fusion Devices.

Force Field Development for Porous Media .

Speaker: Sofía Calero (UPO Spain)
Time: Feb. 14, 2019, 10:00–11:00
Location: Differ, Alexander-zaal

Molecular simulation plays an important role in the field of porous materials. The use of molecular simulations allows the prediction of molecular adsorption and diffusion in these materials and also provides important information about the processes taking place inside the porous structures at the molecular level.

Bits, bytes en batterijen. (This is a Dutch language event.)

Speaker: Vianney Koelman
Time: Feb. 8, 2019, 16:00
Location: Auditorium TU/e, Blauwe Zaal.

Prof.dr.ir. J.M.V.A. (Vianney) Koelman is per 1 maart 2018 benoemd tot deeltijdhoogleraar in het vakgebied Computational Energy Research aan de Faculteit Technische Natuurkunde van de Technische Universiteit Eindhoven. Hij houdt zijn intreerede op 8 februari 2019.