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Ramón Sayós

University of Barcelona

Gran Via de les Corts Catalanes, 585

Barcelona, 08007

Spain

SCHOLARLY PAPERS

2

DOWNLOADS

65

TOTAL CITATIONS

0

Scholarly Papers (2)

1.

When Coverage is Key: The Lowest (Free) Energy Reaction Pathway Does Not Always Properly Predict the Evolution of Heterogeneously Catalyzed Reactions

Number of pages: 20 Posted: 26 Mar 2023
University of Barcelona, University College London, University of Barcelona and University of Barcelona
Downloads 61 (951,658)

Abstract:

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surface coverage, kinetic Monte Carlo, density functional theory, kinetic modeling, mechanistic analysis, rational design

2.

DFT and microkinetic modeling study for the catalytic CO2 hydrogenation on small Ru clusters encapsulated in Silicalite

Number of pages: 28 Posted: 11 Jul 2026
University of Barcelona, University of Concepción, University of Barcelona and Universitat de Barcelona
Downloads 4

Abstract:

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DFT, Microkinetic Modeling, Ru clusters, CO2 hydrogenation, Zeolites