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International Journal of Photoenergy
Volume 2013, Article ID 613064, 7 pages
Research Article

Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells

1NANOCOSMOS Virtual Lab, Centro de Investigación en Materiales Avanzados, S.C., Miguel de Cervantes 120, Complejo Industrial Chihuahua, 31190 Chihuahua, CHIH, Mexico
2Facultad de Ingeniería Mochis, Universidad Autónoma de Sinaloa, Prol. Ángel Flores y Fuente de Poseidón, S.N., 81223 Los Mochis, SIN, Mexico

Received 13 October 2012; Revised 26 January 2013; Accepted 3 February 2013

Academic Editor: Theodoros Dimopoulos

Copyright © 2013 Jesus Baldenebro-Lopez et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The supplementary material provides additional information on optimized molecular structure, total energy and Infrared (IR) spectra for the copper complexes in presence of solvent (CuL4 and CuL6 in MeOH solution; CuL7, CuL8 and CuL9 in Chloroform Solution). These values were calculated with M06 density functional combined with the LANL2DZ and DZVP basis sets.

  1. Supplementary Material