Title of article :
Combined experimental and DFT–TDDFT study of photo-active constituents of Canarium odontophyllum for DSSC application
Author/Authors :
Ekanayake، نويسنده , , Piyasiri and Kooh، نويسنده , , Muhammad Raziq Rahimi and Kumara، نويسنده , , N.T.R.N. and Lim، نويسنده , , Andery and Petra، نويسنده , , Mohammad Iskandar and Voo، نويسنده , , Nyuk Yoong and Lim، نويسنده , , Chee Ming، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
7
From page :
121
To page :
127
Abstract :
The active constituents of Canarium odontophyllum (COP) were investigated experimentally and theoretically for dye sensitized solar cell (DSSC) application. Three main flavonoid pigments (cyanidin, pelargonidin and maritimein) were detected in COP showing photo-energy conversion efficiencies of 1.43%, 0.87% and 0.60%, respectively. The molecular geometries, electronic structures, optical absorption spectra and proton affinity of these molecules were investigated with DFT/TDDFT. All three molecules displayed π→π* transition dominant in HOMO→LUMO transition. The anchoring groups onto TiO2 surface were deduced from combined experimental and calculated data. All the constituents of COP are potential sensitizers for DSSC.
Journal title :
Chemical Physics Letters
Serial Year :
2013
Journal title :
Chemical Physics Letters
Record number :
1935571
Link To Document :
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