Publications by the researcher in collaboration with JUAN MARIA GARCIA LASTRA (19)

2016

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

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

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

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

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

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. 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. 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

  4. Erratum: Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces (Physical Review B - Condensed Matter and Materials Physics (2009) 80 (245427))

    Physical Review B - Condensed Matter and Materials Physics

  5. Modeling nanoscale gas sensors under realistic conditions: Computational screening of metal-doped carbon nanotubes

    Physical Review B - Condensed Matter and Materials Physics, Vol. 81, Núm. 24

  6. Self-energy and excitonic effects in the electronic and optical properties of TiO2 crystalline phases

    Physical Review B - Condensed Matter and Materials Physics, Vol. 82, Núm. 4

2009

  1. Customized electronic coupling in self-assembled donor-acceptor nanostructures

    Advanced Functional Materials, Vol. 19, Núm. 22, pp. 3567-3573

  2. Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

    Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 24

2008

  1. Conductance of sidewall-functionalized carbon nanotubes: Universal dependence on adsorption sites

    Physical Review Letters, Vol. 101, Núm. 23