000			02125nab a2200205 4500
005			20260520000844.0
008			260224s2009 xxu
245	0	0	_aMolecular design of organic dyes with double electron acceptor for dye-sensitized solar cell
260			_a _b _cjul./ago. 2009
270			_a15/06/2010 ; 15/06/2010
300			_a5 p. ; 3732-3736
520			_aTranscripción del resumen del autor. We designed and synthesized novel organic dyes of double electron acceptor type based on phenothiazine framework, as photosensitizers for the dye-sensitized solar cell (DSC). The density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations were used to estimate the photovoltaic properties of the dyes in the design stage. The molecular structure having two electron acceptors on both sides of phenothiazine moiety provided the efficient electron extraction paths from electron donor part, which was demonstrated by the analysis of the electronic structures on donor and acceptor, and the excitations between HOMOs and LUMOs. In accordance, the measurements of photovoltaic properties of the DSCs prepared in the laboratory scale showed that the organic dyes of double electron acceptor type gave about 20% higher performace than their counterparts of single electron acceptor type. The effect of the kind of electron acceptor (C, cyanocrylic acid and R, rhodanine-acetic acid) on the performance of DSC was studied as well. We found that the organic dyes with R as acceptor gave much lower efficiencies, compared to those with C, for both single and double electron acceptor type. It was attributed to the electronic decoupling between anchoring and TiO2 conduction band accompanying the lack of p-conjugation of carboxylic group as anchoring on R, despite that the dyes with R had relatively broad and intense absorption spectra in the visible region.
581			_a4
773	0		_tEnergy & fuels _g23
942			_cARTICULO
100	1		_aPark, Sung Soo _942692
100	1		_aWon, Yong Sun _942693
100	1		_aChoi, Young Cheol _942694
999			_c171039 _d171039