20-22 May 2015
Asia/Bangkok timezone
The Centennial Celebration of General Relativity Theory and 80 Years of Thai Physics Graduate

New Dye Sensitizers from Anthraquinone Derivatives for Application in Dye-Sensitized Solar Cells: a DFT Study

21 May 2015, 13:00
3h 30m
Board: MNA-51
Poster presentation Material Physics, Nanoscale Physics and Nanotechnology Poster-3

Speaker

Mr Sarawut Tontapha (Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen, THAILAND 40002)

Description

New dye sensitizes from anthraquinone derivatives for application in dye–sensitized solar cells (DSSCs) were theoretical investigated. The ground and excited state properties of the dyes were studied by using density functional theory (DFT) at M06/6–311G(d,p) level and time–dependent DFT (TD–DFT) method at the same level, respectively. The introduction of the anthraquinone derivatives has been shown to interestingly affect the geometrical and electronic properties of dye sensitizes for the DSSCs. In addition, effects of dyes adsorbed on surface of semiconductor TiO${}_2$, namely dye@TiO${}_2$, were also investigated. Moreover, thermodynamic and optical properties have been studied and reported.

Primary author

Mr Sarawut Tontapha (Materials Science and Nanotechnology Program, Faculty of Science, Khon Kaen University, Khon Kaen, THAILAND 40002)

Co-authors

Vittaya Amornkitbamrung (Integrated Nanotechnology Research Center, Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen, THAILAND 40002) Wichien Sang–aroon (Department of Chemistry, Faculty of Engineering, Rajamangala University of Technology Isan, Khon Kaen Campus, Khon Kaen, THAILAND 40000)

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