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2 International Letters of Chemistry, Physics and Astronomy

2 2013

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Enhanced photoelectrical performance of DSSC by Co-doped SnO2 nanoparticles

Priyadharsini C. I., Prakasam A., Anbarasan P. M.

International Letters of Chemistry, Physics and Astronomy

2013

Vol. 12

82--93

Investigation of the I-V characteristics of the DSSC based on interconnected with cobalt-doped SnO2 nanoparticles covered with a nano-scale thin layer which was absorbed by natural dyes are described. The presence of co-doped SnO2 has been confirmed by its characteristic XRD pattern and the shape of the particle is confirmed by SEM. The thickness of the protective layer can be conveniently controlled by the mole value of co-doped SnO2 used in the preparation of the thin film and the optimum conditions for best performance of the DSSC are presented together with possible explanation for the variations observed. An optimum light-to-electricity conversion efficiency of 0.37 % in the presence of a layer of co-doped SnO2 has been obtained which enhancement over the cell prepared with other natural dyes. The characterization of the sample using different techniques was explained (change the sentence).

DFT studies on the electronic structures of 4-methoxybenzonitrile dye for Dye-Sensitized Solar Cell

Prakasam A, Sakthi D, Anbarasan P.M.

International Letters of Chemistry, Physics and Astronomy

2013

Vol. 7, iss. 1

8--22

The geometries, electronic structures, polarizabilities and hyperpolarizabilities of organic dye sensitizer 4-methoxybenzonitrile was studied based on ab initio HF and Density Functional Theory (DFT) using the hybrid functional B3LYP. Ultraviolet-visible (UV-Vis) spectrum was investigated by Time Dependent DFT (TDDFT). Features of the electronic absorption spectrum in the visible and near-UV regions were assigned based on TDDFT calculations. The absorption bands are assigned to π→π* transitions. Calculated results suggest that the three excited states with the lowest excited energies in 4-methoxybenzonitrile is due to photoinduced electron transfer processes. The interfacial electron transfer between semiconductor TiO2 electrode and dye sensitizer 4-methoxybenzonitrile, is due to an electron injection process from excited dye to the semiconductor’s conduction band. The role of nitro group in 4-methoxybenzonitrile in geometries, electronic structures, and spectral properties were analyzed.