Electronic structure and optical spectra of catechol on TiO2nanoparticles from real time TD-DFT simulations

Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2Nanoclusters

(2010) Rocío Sánchez-de-Armas et al.   Journal of Chemical Theory and Computation

Adsorption of Catechol on TiO2 Rutile (100): A Density Functional Theory Investigation

(2010) U. Terranova et al.   Journal of Physical Chemistry C

Correlation between Bonding Geometry and Band Gap States at Organic−Inorganic Interfaces: Catechol on Rutile TiO2(110)

(2009) Shao-Chun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective

(2009) Oleg V. Prezhdo et al.   PROGRESS IN SURFACE SCIENCE

Binding of Catechols to Mononuclear Titanium(IV) and to 1- and 5-nm TiO2Nanoparticles

(2008) Carol Creutz et al.   INORGANIC CHEMISTRY

Electronic Excited State of Alizarin Dye Adsorbed on TiO2 Nanoparticles: A Study by Electroabsorption (Stark Effect) Spectroscopy

(2008) Agnieszka Nawrocka et al.   Journal of Physical Chemistry C

Adsorption of small organic molecules on anatase and rutile surfaces: a theoretical study

(2008) S. Köppen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS