Publicaciones en las que colabora con Javier Fernández Sanz (10)

2012

  1. Coumarin derivatives for dye sensitized solar cells: A TD-DFT study

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 1, pp. 225-233

  2. Molecular modification of coumarin dyes for more efficient dye sensitized solar cells

    Journal of Chemical Physics, Vol. 136, Núm. 19

2011

  1. Coverage and charge dependent adsorption of butanethiol on the Au(111) surface: A density functional theory study

    Computational and Theoretical Chemistry, Vol. 975, Núm. 1-3, pp. 116-121

  2. Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells

    Journal of Physical Chemistry C, Vol. 115, Núm. 22, pp. 11293-11301

  3. Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin

    Computational and Theoretical Chemistry, Vol. 975, Núm. 1-3, pp. 99-105

  4. Electronic structure and optical spectra of catechol on TiO2 nanoparticles from real time TD-DFT simulations

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 4, pp. 1506-1514

2010

  1. Real-time TD-DFT simulations in dye sensitized solar cells: The electronic absorption spectrum of alizarin supported on TiO2 nanoclusters

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 9, pp. 2856-2865

2009

  1. Changing the physical and chemical properties of titanium oxynitrides TiN1-x Ox by changing the composition

    Physical Review B - Condensed Matter and Materials Physics, Vol. 80, Núm. 18

2008

  1. Methanol and water dissociation on TiO2 (110): The role of surface oxygen

    Journal of Physical Chemistry C, Vol. 112, Núm. 46, pp. 17737-17740

2007

  1. Methanol adsorption and dissociation on TiO2(110) from first principles calculations

    Journal of Physical Chemistry C, Vol. 111, Núm. 27, pp. 10023-10028