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.
Comment in PNAS is published!
Our comment “Theory and experiments join forces to characterize the electrocatalytic interface” on Goddard’s paper is now available in PNAS.
Election for the Laboratory Council
I am very grateful to my colleagues who trust me to represent them in the laboratory council of the “Laboratoire de chimie”.
Welcome to Nawres
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.
Welcome to Mohamed
Mohamed Elsheref just started his M2 internship on modelling Lignin oxidation. It is his first experience in computational chemistry!
Energy Decomposition Analysis and Solvation Effects in Heterogeneous Catalysis
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).
Tiny script to analyse the kinetic energy along an MD trajectory
The following script is part of the supporting information of a soon-to-be submitted article.
H2-Lignin project funded
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.
Microsolvation and Scaling Relations
Benjamin’s article on scaling relations for alcohol decomposition on platinum has been published.
A lot of hard work went into this neat little story that you can read in PCCP.
This paper has been included in the PCCP 2018 Hot Paper collection.
tocBLW for Metallic Surfaces
Congratualations, Ruben, your article has just been published!
Read all about it in JCTC