Cyano or o-nitrophenyl? Which is the optimal electron-withdrawing group for the acrylic acid acceptor of D-π-A sensitizers in DSSCs? A density functional evaluation

Journal of Molecular Modeling

Volumn 19, Issue 4, 2013, Pages 1597-1604

  Zhang, Ji ^a   Kan, Yu He ^a,b   Li, Hai Bin ^a   Geng, Yun ^a   Wu, Yong ^a   Duan, Yu Ai ^a   Su, Zhong Min ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b HUAIYIN NORMAL UNIVERSITY   (China)

Author keywords

Charge recombination; DFT; Dye sensitized solar cell; Electron transfer; Electron withdrawing group; Organic dye

Indexed keywords

ACRYLIC ACID;

ARTICLE; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; DIPOLE; DYE SENSITIZED SOLAR CELL; ELECTRIC POTENTIAL; ELECTRON TRANSPORT; LIGHT HARVESTING SYSTEM; PRIORITY JOURNAL; SEMICONDUCTOR; SENSITIZATION; SHORT CIRCUIT CURRENT; SOLAR ENERGY;

EID: 84876410294     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1719-2     Document Type: Article

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