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Romain Réocreux | doi.page

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Romain Réocreux

University of Cambridge(GB)Thomas Young Centre(GB)University College London(GB)

Publications by Year

Research Areas

Catalytic Processes in Materials Science, Electrocatalysts for Energy Conversion, Catalysis and Hydrodesulfurization Studies, Catalysis and Oxidation Reactions, Spectroscopy and Quantum Chemical Studies

Most-Cited Works

→ First-principles design of a single-atom–alloy propane dehydrogenation catalyst(2021)352 cited
→ Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts(2018)217 cited
→ Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts(2024)91 cited
→ Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water(2019)89 cited
→ Quo vadis multiscale modeling in reaction engineering? – A perspective(2022)63 cited
→ One Decade of Computational Studies on Single-Atom Alloys: Is In Silico Design within Reach?(2021)54 cited
→

Structuration and Dynamics of Interfacial Liquid Water at Hydrated γ-Alumina Determined by ab Initio Molecular Simulations: Implications for Nanoparticle Stability

(2017)

51 cited

→ Decomposition Mechanism of Anisole on Pt(111): Combining Single-Crystal Experiments and First-Principles Calculations(2016)45 cited

→ Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts(2022)43 cited

→ On the Importance of Decarbonylation as a Side‐Reaction in the Ruthenium‐Catalysed Dehydrogenation of Alcohols: A Combined Experimental and Density Functional Study(2014)43 cited