Stephan N. Steinmann

The 70th annual ISE meeting in Durban (South Africa) has been a great conference.

Even though my invited presentation does not contain a lot of electrochemistry, the presented methods and challenges have spurred some discussion.

Our collaborative work on the pressure gap of methane thiol adsorption on Au(111) is online. The high-pressure (1 bar), high temperature (~400 K) STM work and its simulations have been a real challenge, but the joint interpretations have allowed to identify a phase transition upon increasing the pressure compared to the commonly observed low pressure structures.

The review “Theory-Guided Materials Design: Two-Dimensional MXenes in Electro- and Photocatalysis” is available online in Nanoscale Horizons. This has been a great start for our collaboration with Z.W. Seh from A*STAR.

Our comment “Theory and experiments join forces to characterize the electrocatalytic interface” on Goddard’s paper is now available in PNAS.

I am very grateful to my colleagues who trust me to represent them in the laboratory council of the “Laboratoire de chimie”.

Nawres Abidi just started her five months internship with me. She will work on the hydrogen evolution reaction over MoS₂ catalysts in the context of the MoSHy project.

Mohamed Elsheref just started his M2 internship on modelling Lignin oxidation. It is his first experience in computational chemistry!

Presented at the spring meeting of the 2019 Spring Meeting of Swiss Association of Computational Chemists (SACC)

This highlighted the work of Ruben Staub (BLW for metallic surfaces) and of Paul Clabaut (force field development for metal/water interfaces).

The following script is part of the supporting information of a soon-to-be submitted article.

calculate_E_T.py

Our joint theory-experimental project has been approved for funding by the Institut de chimie de Lyon.

I am looking forward to collaborate with Angel Caravaca on this project.