Publicaciones en las que colabora con Frances Illas Riera (16)

2023

  1. C1 Chemistry on Metal Carbide Nanoparticles: Boosting the Conversion of CO2 and CH4

    Journal of Physical Chemistry C, Vol. 127, Núm. 34, pp. 16764-16780

  2. Ethylene Hydrogenation Molecular Mechanism on MoCy Nanoparticles

    Journal of Physical Chemistry C, Vol. 127, Núm. 16, pp. 7666-7673

2022

  1. Effect of nanostructuring on the interaction of CO2 with molybdenum carbide nanoparticles

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 27, pp. 16556-16565

2021

  1. Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO2and H2Dissociation

    Journal of Physical Chemistry C, Vol. 125, Núm. 22, pp. 12019-12027

  2. Size and Stoichiometry Effects on the Reactivity of MoCyNanoparticles toward Ethylene

    Journal of Physical Chemistry C, Vol. 125, Núm. 11, pp. 6287-6297

  3. Supported Molybdenum Carbide Nanoparticles as an Excellent Catalyst for CO2Hydrogenation

    ACS Catalysis, Vol. 11, Núm. 15, pp. 9679-9687

2020

  1. Boosting the activity of transition metal carbides towards methane activation by nanostructuring

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 13, pp. 7110-7118

  2. Critical Hydrogen Coverage Effect on the Hydrogenation of Ethylene Catalyzed by δ-MoC(001): An Ab Initio Thermodynamic and Kinetic Study

    ACS Catalysis, Vol. 10, Núm. 11, pp. 6213-6222

  3. Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 45, pp. 26145-26154

  4. Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications

    Journal of Physical Chemistry Letters, Vol. 11, Núm. 19, pp. 8437-8441

2019

  1. Combining Theory and Experiment for Multitechnique Characterization of Activated CO2 on Transition Metal Carbide (001) Surfaces

    Journal of Physical Chemistry C, Vol. 123, Núm. 13, pp. 7567-7576

  2. Kinetic Monte Carlo Simulations Unveil Synergic Effects at Work on Bifunctional Catalysts

    ACS Catalysis, Vol. 9, Núm. 10, pp. 9117-9126

  3. Room Temperature Methane Capture and Activation by Ni Clusters Supported on TiC(001): Effects of Metal-Carbide Interactions on the Cleavage of the C-H Bond

    Journal of the American Chemical Society, Vol. 141, Núm. 13, pp. 5303-5313

2018

  1. Diversity of Adsorbed Hydrogen on the TiC(001) Surface at High Coverages

    Journal of Physical Chemistry C, Vol. 122, Núm. 49, pp. 28013-28020

2016

  1. The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: Mechanism for admetal induced change in the selectivity and activity

    Catalysis Science and Technology, Vol. 6, Núm. 18, pp. 6766-6777

2007

  1. Density functional study of the adsorption of atomic oxygen on the (001) surface of early transition-metal carbides

    Journal of Physical Chemistry C, Vol. 111, Núm. 3, pp. 1307-1314