Publicaciones en colaboración con investigadores/as de Universidad de Valladolid (51)

2024

  1. O2 activation by subnanometer Re-Pt clusters supported on TiO2(110): exploring adsorption sites

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 22, pp. 15902-15915

  2. Pt3Zr alloy as a protective coating against oxidation and hydrogen attack on Zr-based components in nuclear reactors

    Computational Materials Science, Vol. 245

2022

  1. Mechanistic insight into the CO oxidation reaction at pure, Nb-doped and Mo-doped medium size Pt clusters

    Molecular Catalysis, Vol. 533

2020

  1. Ab initio studies of propene oxide formation at gold nanocatalysts supported on anatase-TiO2

    Molecular Catalysis, Vol. 486

2019

  1. Water adsorption and dissociation on gold catalysts supported on anatase-TiO2(101)

    Applied Surface Science, Vol. 487, pp. 244-252

2018

  1. Ab initio studies of ethanol dehydrogenation at binary AuPd nanocatalysts

    Molecular Catalysis, Vol. 449, pp. 8-13

  2. Theoretical description and modeling of hydrogen bonds at solid surfaces

    Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry (Elsevier), pp. 175-180

2017

  1. Interaction of aromatic molecules with small gold clusters

    Chemical Physics Letters, Vol. 684, pp. 91-96

2016

  1. Controlling the Adsorption of Carbon Monoxide on Platinum Clusters by Dopant-Induced Electronic Structure Modification

    Angewandte Chemie - International Edition, Vol. 55, Núm. 37, pp. 11059-11063

2014

  1. Ab initio studies of propene epoxidation on oxidized silver surfaces

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 48, pp. 26546-26552

2011

  1. Catalysis by sub-nanometer size gold clusters

    ACS National Meeting Book of Abstracts

  2. Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study

    Catalysis Today, Vol. 160, Núm. 1, pp. 116-130

2010

  1. Hydrogen and Hydrogen Clusters Across Disciplines

    NANOCLUSTERS: A BRIDGE ACROSS DISCIPLINES (ELSEVIER SCIENCE BV), pp. 299-342

  2. Hydrogen and hydrogen clusters across disciplines

    Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems (Elsevier B.V.), pp. 299-342

  3. Reactivity of Metal Clusters

    Atoms, Molecules, and Clusters Structure, Reactivity, and Dynamics: Aromaticity and Metal Clusters (CRC Press), pp. 119-135

2009

  1. BeB2 nanostructures: A density functional study

    Many-body Theory Of Molecules, Clusters And Condensed Phases (World Scientific Publishing Co. Pte. Ltd.), pp. 860-869

  2. BeB2 nanostructures: A density functional study

    Many-body Theory Of Molecules, Clusters And Condensed Phases (World Scientific Publishing Co. Pte. Ltd.), pp. 870-873

  3. In situ combined GISAXS and TPR studies of size-selected nanocatalysts: A new approach to investigate size effects in catalysis

    ACS National Meeting Book of Abstracts

  4. New insights on the reaction mechanisms for CO oxidation on Au catalysts

    Chemical Physics Letters, Vol. 468, Núm. 4-6, pp. 201-204

  5. Selective propene epoxidation on immobilized Au6-10 clusters: The effect of hydrogen and water on activity and selectivity

    Angewandte Chemie - International Edition, Vol. 48, Núm. 8, pp. 1467-1471