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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

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Chemical Interaction, Space-charge Layer and Molecule Charging Energy for a TiO2/TCNQ Interface

José I Martínez1, Fernando Flores2, José Ortega2

  • 1Dept. Surfaces, Coatings and Molecular Astrophysics, Institute of Materials Science of Madrid (ICMM-CSIC), Sor Juana Inés de la Cruz 3, E-28049 Madrid (Spain).

The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|February 16, 2016
PubMed
Abstract

Keywords:
DFTband bendingcharging energyspace-charge layertcnqtitanium dioxide

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