Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters-Reference-Cited by-同舟云学术

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Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters

Published:2010-08-16 Issue:9 Volume:6 Page:2856-2865
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sánchez-de-Armas Rocío,Oviedo López Jaime,A. San-Miguel Miguel,Sanz Javier Fdez.,Ordejón Pablo,Pruneda Miguel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100289t

Reference29 articles.

1. Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO2

2. Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection across the Alizarin−TiO2 Interface

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

4. Electronic Structure and Spectra of Catechol and Alizarin in the Gas Phase and Attached to Titanium

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