Publicaciones en colaboración con investigadoras/es de Technical University of Denmark (23)

2018

  1. Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?

    Current Opinion in Electrochemistry, Vol. 8, pp. 110-117

2016

  1. How covalence breaks adsorption-energy scaling relations and solvation restores them

    Chemical Science, Vol. 8, Núm. 1, pp. 124-130

2014

  1. Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers

    Angewandte Chemie - International Edition, Vol. 53, Núm. 32, pp. 8316-8319

  2. Quantifying local and cooperative components in the ferroelectric distortion of BaTiO3: Learning from the off-center motion in the MnCl65- complex formed in KCl:Mn+

    Inorganic Chemistry, Vol. 53, Núm. 13, pp. 6534-6543

2013

  1. Generalized trends in the formation energies of perovskite oxides

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 20, pp. 7526-7533

  2. Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides

    Chemical Science, Vol. 4, Núm. 3, pp. 1245-1249

  3. Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins

    Surface Science, Vol. 607, pp. 47-53

2012

  1. Design of an active site towards optimal electrocatalysis: Overlayers, surface alloys and near-surface alloys of Cu/Pt(111)

    Angewandte Chemie - International Edition, Vol. 51, Núm. 47, pp. 11845-11848

  2. Identifying active surface phases for metal oxide electrocatalysts: A study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 40, pp. 14010-14022

  3. Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces

    Physical Review Letters, Vol. 108, Núm. 11

  4. Scanning tunneling microscopy evidence for the dissociation of carbon monoxide on ruthenium steps

    Journal of Physical Chemistry C, Vol. 116, Núm. 27, pp. 14350-14359

2011

  1. Br(A)over-tilde,nsted-Evans-Polanyi relations for transition-metal oxides from density functional theory

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 34, pp. 15639-15643

  3. On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides

    Journal of Chemical Physics, Vol. 134, Núm. 24

  4. Tailoring the electronic structure of graphene for catalytic and nanoelectronic applications

    Proceedings - International Symposium on Advanced Packaging Materials

  5. Trends in metal oxide stability for nanorods, nanotubes, and surfaces

    Journal of Physical Chemistry C, Vol. 115, Núm. 5, pp. 2244-2252

  6. Tuning the activity of Pt(111) for oxygen electroreduction by subsurface alloying

    Journal of the American Chemical Society, Vol. 133, Núm. 14, pp. 5485-5491

  7. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

    ChemCatChem, Vol. 3, Núm. 7, pp. 1159-1165

2010

  1. Electro-Catalysis of Oxygen Reduction Reaction

    POLYMER ELECTROLYTE FUEL CELLS 10, PTS 1 AND 2

  2. Electro-catalysis of oxygen reduction reaction

    ECS Transactions