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Li-Na Yang, Zhu-Zhu Sun, Prof. Shi-Lu Chen and Prof. Ze-Sheng Li Iodinated AlIII-Based Phthalocyanines are Promising Sensitizers for Dye-Sensitized Solar Cells; A Theoretical Comparison Between ZnII, MgII, and AlIII-Based Phthalocyanine Sensitizers ChemPhysChem 15

Article first published online: 27 JAN 2014 | DOI: 10.1002/cphc.201300969

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The winner takes it Al(lII): The theoretical comparison between ZnII, MgII, and AlIII-based phthalocyanines (Pcs) shows that iodinated AlIII-based phthalocyanine dyes (labeled as Al-I-Pcs) display good optical properties in the near-IR region, and keep excellent balance between electron injection from the dye to the semi-conductor, and regeneration of oxidized dye. The present computational results suggest Al-based dyes to be potentially promising sensitizers in DSSCs.

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