Enhanced photovoltaic performance of dye-sensitized solar cells by the adsorption of Zn-porphyrin dye molecule on TiO2 surfaces

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review

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Author(s)

  • Yanming Lin
  • Chaoyuan Zhu
  • Zhenyi Jiang
  • Yali Zhao
  • Qi Wang
  • Sheng Hsien Lin

Detail(s)

Original languageEnglish
Pages (from-to)35-44
Journal / PublicationJournal of Alloys and Compounds
Volume794
Early online date25 Apr 2019
Publication statusPublished - 25 Jul 2019

Abstract

The electronic structure, optical absorption and charge transfer performances of Zn-porphyrin (ZnPP) dye molecule adsorbed on anatase (101) and rutile (110) TiO2 surfaces have been investigated systematically using spin-polarized density functional theory calculations. The calculated results indicate that the strong interactions of ZnPP dye molecule and TiO2 surfaces cause an obvious variation of the conduction band minimum and valence band maximum for ZnPP dye molecule adsorbed on TiO2 surfaces, and the valence band of adsorption systems has a large bandwidth compared with that of the TiO2 bulk and surfaces, which induces a red-shift of the optical absorption edge and improves greatly the optical absorption of adsorption systems in the ultraviolet and visible light regions. Moreover, the change of charge density indicates that the photoelectrons transfer from the ZnPP dye molecule to TiO2 across the interface, and a built-in electric field is formed at the interface, which effectively enhances the separation of photogenerated electron-hole pairs. These results suggest that the sensitized actions of ZnPP dye molecule on TiO2 surfaces can generate an excellent photovoltaic performance of TiO2 photoanode in DSSCs.

Research Area(s)

  • Density functional theory, Dye-sensitized solar cells, TiO2 surfaces, Zn-porphyrin

Citation Format(s)

Enhanced photovoltaic performance of dye-sensitized solar cells by the adsorption of Zn-porphyrin dye molecule on TiO2 surfaces. / Lin, Yanming; Zhu, Chaoyuan; Jiang, Zhenyi; Zhao, Yali; Wang, Qi; Zhang, Ruiqin; Lin, Sheng Hsien.

In: Journal of Alloys and Compounds, Vol. 794, 25.07.2019, p. 35-44.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalNot applicablepeer-review