Romain Réocreux

University of Cambridge — United Kingdom

Materials Science · Physical Sciences

17h-index1.3kcitations48works49.02yr avg
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Research Topics

Catalytic Processes in Materials Science(21), Electrocatalysts for Energy Conversion(14), Catalysis and Hydrodesulfurization Studies(12), Catalysis and Oxidation Reactions(8), Spectroscopy and Quantum Chemical Studies(7)

Publications48 total

Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys
Journal of the American Chemical Society·2024· 7 citedOpen Access
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
Nature Chemistry·2024· 91 citedOpen Access
Elucidating the Reactivity of Oxygenates on Single-Atom Alloy Catalysts
ACS Catalysis·2023· 15 citedOpen Access
Investigating Spillover Energy as a Descriptor for Single-Atom Alloy Catalyst Design
The Journal of Physical Chemistry Letters·2023· 14 citedOpen Access
Reactivity of Single-Atom Alloys as Easy as Counting to Ten
2022· 3 cited
Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts
The Journal of Physical Chemistry Letters·2022· 43 citedOpen Access
Quo vadis multiscale modeling in reaction engineering? – A perspective
Process Safety and Environmental Protection·2022· 61 citedOpen Access
Mechanistic investigations at the alumina/water interfαace
HAL (Le Centre pour la Communication Scientifique Directe)·2022
Mechanistic Investigation and Free Energies of the Reactive Adsorption of Ethanol at the Alumina/Water Interface
The Journal of Physical Chemistry C·2022· 20 citedOpen Access
Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interface
2022· 4 citedOpen Access
Replication Data for: Mechanistic insights into carbon-carbon coupling on NiAu and PdAu single-atom alloys
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2022Open Access
Replication Data for: Efficient and selective carbon-carbon coupling on coke-resistant PdAu single-atom alloys
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2022Open Access
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts
UCL Discovery (University College London)·2022
One Decade of Computational Studies on Single-Atom Alloys: Is <i>In Silico</i> Design within Reach?
Accounts of Chemical Research·2021· 52 cited
Tuning the Product Selectivity of Single-Atom Alloys by Active Site Modification
Surface Science·2021· 8 citedOpen Access
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts
Computer Physics Communications·2021· 16 citedOpen Access
Replication Data for: The role of oxygenated species in the catalytic self-coupling of MeOH on O pre-covered Au(111)
OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)·2021Open Access
Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interface
2021· 1 citedOpen Access
Mechanistic investigation and free energies of the reactive adsorption of ethanol at the alumina/water interface
2021Open Access
First-principles design of a single-atom–alloy propane dehydrogenation catalyst
Science·2021· 347 citedOpen Access
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Frequent Co-authors

Carine Michel(24), Michail Stamatakis(21), Philippe Sautet(16), E. Charles H. Sykes(10), Cherif Aghiles Ould Hamou(10), Javier B. Giorgi(10), Ryan T. Hannagan(8), Angelos Michaelides(6), Paul Clabaut(6), Stephan N. Steinmann(6), Julia Schumann(5), Paul L. Kress(5), Jérôme Rey(5), Theodore Thuening(4), Yicheng Wang(3), Etienne Girel(3), Prashant Deshlahra(2), Alexandra Chaumonnot(2), Amandine Cabiac(2), Volkan Çınar(2)