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Check our latest endeavour in collaboration with Swiss Cat+ and Atinary. A Bayesian-driven HTE approach enables to cover 100 years of research on CO2 reduction catalysts in five weeks. Free access to the manuscript until March 8th. Chem Catalysis cell.com/chem-catalysis… (1/2)

A sustainable fuel and chemical from the robotic lab ethz.ch/en/news-and-ev… via @eth

Our recent work! The Impact of Oxygen Surface Coverage and Carbidic Carbon on the Activity and Selectivity of Two-Dimensional Molybdenum Carbide (2D-Mo2C) in Fischer–Tropsch Synthesis | ACS Catalysis ACS Catalysis pubs.acs.org/doi/full/10.10…

Thrilled to share the publication of our latest research in Chemical Science! Dive into our exploration of alloying-dealloying dynamics in nanoparticles during #CO2 hydrogenation. Check it out! Scott Aleix Comas Copéret Group / @coperetgroup.bsky.social ICBMS Lyon Genci pubs.rsc.org/en/content/art…

Flying out to New Orleans for #ACSSpring2024! Very excited to meet the US chemist crowd, and to show the cool stuff we do at ITEMM Group ICBMS Lyon 🔥 #Chemistry American Chemical Society

✨ #ACSSpring2024 ✨

I’m very happy for this opportunity to talk about modeling alloying in bimetallic catalysts #ACSSpring2024 Looking forward to the rest of the discussions on mechanism in catalysis

Christophe and some of us joined the conference celebrating the 75th birthday of Odile Eisenstein, a long-term mentor and collaborator of the group. Joyeux anniversaire, Odile! 🍾🍾

⚠️🔥💥Alert! Our latest article on the accuracy of DFT for studying the kinetics of organic and organometallic reactions in solution is now published!🧪📚 ITEMM Group ICBMS Lyon Congrats to all authors for their incredible contributions!🙌 #DFT #Kinetics doi.org/10.1002/jcc.27…

Congrats to Aurore and Jordan who benchmarked frequently used DFT functionals on experimental kinetic data. A good reference for mechanistic studies 🌈

Carbenes are uncommon in metal–hydride nanomaterials. We introduce a carbene copper–hydride cluster which outperforms Stryker’s reagent in stability and provides a bench-stable catalyst across six reaction classes. A promising alternative for catalytic applications! #Catalysis

🔸A bench stable copper hydride cluster?🔸 We ITEMM Group used ab initio MD to rationalize the different reactivity of the new carbene-stabilized compound compared to the well-known phosphine analogue. Great work from all the collaborators ✨ #chemistry #catalysis #realtimechem

A 5-year position as data steward/research engineer of the chemistry departments of Université PSL is available (more info about the position & the application process below). Deadline: December 1st. Retweets are appreciated! #chempostdoc

Metal–support interactions (MSI) in heterogeneous thermocatalysis are ubiquitous. In our latest review, just published in Chem Soc Rev we explore the intricate relationship between active metal species and their supports. We critically evaluate the many subclassifications…

Accelerating materials science with deep learning: Rethinking hybrid functional calculations Density functional theory (DFT) is a widely used method in computational materials science, offering an efficient way to calculate electronic structures. However, for more accurate

Finally out😊! In our recent work J. Am. Chem. Soc. , we reveal the critical role of anions in eCO2RR activity and selectivity. This work was done in another fruitful collaboration with Mathieu Salanne! open access link to the paper⤵️ pubs.acs.org/doi/epdf/10.10…

Latest paper from us on the involvement of higher order Pdn clusters derived from the Herrmann-Beller pre-catalyst / 'Pd(OAc)2'-P(o-tolyl)3 pre-catalyst system. The P(o-tolyl)3 ligand can form higher order palladacycles that are catalytic competent! 1/5 pubs.rsc.org/en/content/art…

Very pleased to see that the Schlenk Line Survival Guide recently passed 500,000 views!🥳 Happy to also share that the Organometallics tutorial has been translated to French🇫🇷 and Spanish🇪🇸, and are available to download as PDFs from the resources webpage: schlenklinesurvivalguide.com/downloads/

As an organic chemist, sometimes your most important contribution is attempting to destroy beautiful complexes from collaborators by exposing them to air, and failing. The final version of this fun study on bench-stable CuH is now online in Angewandte Chemie. onlinelibrary.wiley.com/doi/10.1002/an…

I’m glad to share ITEMM Group’s latest in J. Am. Chem. Soc. 💥Modeling alloying changes in nanoparticles under reactive atmospheres is necessary to understanding the reactivity of these catalysts! That’s also my first paper as « sole » 1st author 🥳 #Catalysis #Chemistry #CompChem