DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster

DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster

We report results of density functional theory (DFT) calculations of a metal-free dye, 5-(4-sulfophenylazo)salicylic acid disodium salt, known as Mordant Yellow 10 (MY-10), used as sensitizer for TiO2 dye-sensitized solar cells (DSSCs). Given the need to better understand the behavior of the dyes a...

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Bibliographic Details
Main Authors: Corneliu I. Oprea, Petre Panait, Jeanina Lungu, Daniela Stamate, Anca Dumbravă, Fanica Cimpoesu, Mihai A. Gîrţu
Format: Article
Language:English
Published: Wiley 2013-01-01
Series:International Journal of Photoenergy
Online Access:http://dx.doi.org/10.1155/2013/893850
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