Romain Réocreux

First-principles design of a single-atom–alloy propane dehydrogenation catalyst

Ryan T. Hannagan, Georgios Giannakakis, Romain Réocreux et al. · Science · 2021 · 370 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts

Matthew T. Darby, Romain Réocreux, E. Charles H. Sykes et al. · ACS Catalysis · 2018 · 224 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts

Julia Schumann, Michail Stamatakis, Angelos Michaelides et al. · Nature Chemistry · 2024 · 97 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

Romain Réocreux, Etienne Girel, Paul Clabaut et al. · Nature Communications · 2019 · 94 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Quo vadis multiscale modeling in reaction engineering? – A perspective

Gregor D. Wehinger, Matteo Ambrosetti, Raffaele Cheula et al. · Process Safety and Environmental Protection · 2022 · 68 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +12