Publicaciones en las que colabora con José Ignacio Martínez Torre (20)

2018

  1. How Au Outperforms Pt in the Catalytic Reduction of Methane Towards Ethane and Molecular Hydrogen

    Topics in Catalysis, Vol. 61, Núm. 12-13, pp. 1290-1299

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. Metallicity enhancement in core-shell SiO2@RuO2 nanowires

    RSC Advances, Vol. 4, Núm. 65, pp. 34696-34700

  3. Nanostructure oxide, metal oxide and composite cylindrical shapes for energy and electromagnetic spectrum uses: First principles structural, electronic, and transport characterization of SiO2 nanowires, RuO2 nanotubes, and SiO2/RuO2 nanocables

    Optics InfoBase Conference Papers

2013

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

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

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

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

  3. Tailoring structural and electronic properties of RuO2 nanotubes: A many-body approach and electronic transport

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 35, pp. 14715-14722

2012

  1. First-principles structural and electronic characterization of ordered SiO 2 nanowires

    Journal of Physical Chemistry C, Vol. 116, Núm. 35, pp. 18973-18982

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

    Physical Review Letters, Vol. 108, Núm. 11

2011

  1. 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

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

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

  3. Theoretical study of the structural stability and the electronic properties of Al mH n clusters

    Journal of Computational and Theoretical Nanoscience, Vol. 8, Núm. 4, pp. 609-615

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

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

  5. Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

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

2010

  1. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    Journal of Chemical Physics, Vol. 132, Núm. 4

  2. Trends in stability of perovskite oxides

    Angewandte Chemie - International Edition, Vol. 49, Núm. 42, pp. 7699-7701

2009

  1. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    Journal of Chemical Physics, Vol. 131, Núm. 1

2006

  1. Optical absorption spectra of v4+ isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theory

    Journal of Computational and Theoretical Nanoscience

  2. Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

    Journal of Chemical Physics, Vol. 125, Núm. 7

2004

  1. Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-Cars

    Chemical Physics Letters, Vol. 398, Núm. 4-6, pp. 292-296