Ramón Sayós
0000-0001-6627-7844
127 papers found
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On the Capabilities of Transition Metal Carbides for Carbon Capture and Utilization Technologies
Comprehensive Density Functional and Kinetic Monte Carlo Study of CO2 Hydrogenation on a Well-Defined Ni/CeO2 Model Catalyst: Role of Eley–Rideal Reactions
Zeolite-encapsulated single-atom catalysts for efficient CO2 conversion
Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO2 and H2 Dissociation
Interfacial behavior of binary, ternary and quaternary oil/water mixtures described from molecular dynamics simulations
Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational study
Multiscale Study of the Mechanism of Catalytic CO2 Hydrogenation: Role of the Ni(111) Facets
Critical effect of carbon vacancies on the reverse water gas shift reaction over vanadium carbide catalysts
Assessing salt-surfactant synergistic effects on interfacial tension from molecular dynamics simulations
Combining soft-SAFT and COSMO-RS modeling tools to assess the CO2–SO2 separation using phosphonium-based ionic liquids
Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface
Kinetic Monte Carlo Simulations Unveil Synergic Effects at Work on Bifunctional Catalysts
Assessing the usefulness of transition metal carbides for hydrogenation reactions
Density Functional Theory-Based Adsorption Isotherms for Pure and Flue Gas Mixtures on Mg-MOF-74. Application in CO2 Capture Swing Adsorption Processes
General concepts, assumptions, drawbacks, and misuses in kinetic Monte Carlo and microkinetic modeling simulations applied to computational heterogeneous catalysis
Computational simulation study of the influence of faujasite Si/Al ratio on CO2 capture by temperature swing adsorption
Optimal Faujasite structures for post combustion CO 2 capture and separation in different swing adsorption processes
Comparing the catalytic activity of the water gas shift reaction on Cu(3 2 1) and Cu(1 1 1) surfaces: Step sites do not always enhance the overall reactivity
Atomic and molecular data for spacecraft re-entry plasmas
Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case example
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