María Del Rocio
Sanchez De Armas
Ikertzailea 2017-2018 tartean
Miguel Angel
San Miguel Barrera
Miguel Angel San Miguel Barrera-rekin lankidetzan egindako argitalpenak (8)
2012
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Coumarin derivatives for dye sensitized solar cells: A TD-DFT study
Physical Chemistry Chemical Physics, Vol. 14, Núm. 1, pp. 225-233
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Molecular modification of coumarin dyes for more efficient dye sensitized solar cells
Journal of Chemical Physics, Vol. 136, Núm. 19
2011
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Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells
Journal of Physical Chemistry C, Vol. 115, Núm. 22, pp. 11293-11301
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Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin
Computational and Theoretical Chemistry, Vol. 975, Núm. 1-3, pp. 99-105
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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
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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
2008
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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
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Methanol adsorption and dissociation on TiO2(110) from first principles calculations
Journal of Physical Chemistry C, Vol. 111, Núm. 27, pp. 10023-10028