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Theoretical Investigation on Near-IR Phthalocyanine Complexes for Dye-Sensitized Solar Cells

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Abstract

Density functional theory (DFT) and time-dependent DFT have been used to investigate electronic and optical properties of phthalocyanines. It shows that central metal and peripheral ligand both have significant effects on the performance of dyes.

© 2013 Optical Society of America

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