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Application-oriented computational studies on a series of D-[small pi]-A structured porphyrin sensitizers with different electron-donor groups

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Phys. Chem. Chem. Phys., 2015, Advance Article
DOI: 10.1039/C5CP05625J, Paper
Chencheng Fan, Bao Zhang, Yuanchao Li, Yuxia Liang, Xiaodong Xue, Yaqing Feng
A reliable method involving the employment of the Fukui function, the extended condensed Fukui function and the Tangui Le Bahers model for the evaluation of newly designed D-[small pi]-A type porphyrin sensitizers for use in dye-sensitized solar cells was developed.
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