Publications by authors named "Ramon Sayos"

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CO Hydrogenation on Ru Single-Atom Catalyst Encapsulated in Silicalite: a DFT and Microkinetic Modeling Study.
Manuel A Cánovas, Alejandro Gracia, Ramón Sayós, Pablo Gamallo

J Phys Chem C Nanomater Interfaces· October 2024

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On the Capabilities of Transition Metal Carbides for Carbon Capture and Utilization Technologies.
Hector Prats, Arturo Pajares, Francesc Viñes, Pilar Ramírez de la Piscina, Ramon Sayós

ACS Appl Mater Interfaces· June 2024

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Comprehensive Density Functional and Kinetic Monte Carlo Study of CO Hydrogenation on a Well-Defined Ni/CeO Model Catalyst: Role of Eley-Rideal Reactions.
Pablo Lozano-Reis, Pablo Gamallo, Ramón Sayós, Francesc Illas

ACS Catal· February 2024

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Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface.
Pablo Lozano-Reis, Ramón Sayós, José A Rodriguez, Francesc Illas

Phys Chem Chem Phys· November 2020

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Assessing the usefulness of transition metal carbides for hydrogenation reactions.
Hector Prats, Juan José Piñero, Francesc Viñes, Stefan T Bromley, Ramón Sayós

Chem Commun (Camb)· November 2019

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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.
Hèctor Prats, Pablo Gamallo, Ramón Sayós, Francesc Illas

Phys Chem Chem Phys· January 2016

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ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface.
Pablo Gamallo, Hèctor Prats, Ramón Sayós

J Mol Model· April 2014

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Theoretical study of the dynamics and kinetics of the O + CS → CO + S chemical laser reaction, where CO shows a very high vibrational excitation.
Pablo Gamallo, Rafael Francia, Rodrigo Martínez, Ramón Sayós, Miguel González

J Phys Chem A· December 2012

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Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface.
Víctor Morón, Pablo Gamallo, Ludovic Martin-Gondre, Cédric Crespos, Pascal Larregaray

Phys Chem Chem Phys· October 2011

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