Publicaciones en las que colabora con JUAN MARIA GARCIA LASTRA (28)

2018

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

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

2016

  1. Electronic Structure of Low-Dimensional Carbon π-Systems

    Journal of Physical Chemistry C, Vol. 120, Núm. 23, pp. 12362-12368

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

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

2015

  1. Design of two-photon molecular tandem architectures for solar cells by ab initio theory

    Chemical Science, Vol. 6, Núm. 5, pp. 3018-3025

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. Gas sensing and thermal transport through carbon-nanotube-based nanodevices

    Challenges and Advances in Computational Chemistry and Physics (Springer), pp. 99-136

  3. 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. Design of solar cell materials via soft X-ray spectroscopy

    Journal of Electron Spectroscopy and Related Phenomena, Vol. 190, Núm. PART A, pp. 2-11

  2. Electronic structure of Fe-vs. Ru-based dye molecules

    Journal of Chemical Physics, Vol. 138, Núm. 4

  3. Influence of axial and peripheral ligands on the electronic structure of titanium phthalocyanines

    Journal of Physical Chemistry C, Vol. 117, Núm. 9, pp. 4410-4420

  4. 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. Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules

    Physical Review B - Condensed Matter and Materials Physics, Vol. 86, Núm. 7

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

    Physical Review Letters, Vol. 108, Núm. 11

  3. Supramolecular environment-dependent electronic properties of metal-Organic interfaces

    Journal of Physical Chemistry C, Vol. 116, Núm. 7, pp. 4780-4785

2011

  1. Tailoring electronic and optical properties of TiO2: Nanostructuring, doping and molecular-oxide interactions

    Computational Studies of New Materials II: From Ultrafast Processes and Nanostructures to Optoelectronics, Energy Storage and Nanomedicine (World Scientific Publishing Co.), pp. 301-330

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

    Proceedings - International Symposium on Advanced Packaging Materials

  3. Unoccupied states in Cu and Zn octaethyl-porphyrin and phthalocyanine

    Journal of Chemical Physics, Vol. 134, Núm. 20

2010

  1. Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins

    Journal of Chemical Physics, Vol. 133, Núm. 15

  2. Copper-phthalocyanine based metal-organic interfaces: The effect of fluorination, the substrate, and its symmetry

    Journal of Chemical Physics, Vol. 133, Núm. 21

  3. Designing multifunctional chemical sensors using Ni and Cu doped carbon nanotubes

    Physica Status Solidi (B) Basic Research, Vol. 247, Núm. 11-12, pp. 2678-2682