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Achieving Improved Solar Absorbance of Small Organic Dyes Featuring Quinoidized Five-Membered Heterocycles

Published online by Cambridge University Press:  28 July 2014

Wei Han Tu ,
Yi Yin Tan  and
Sergei Manzhos
Wei Han Tu
Affiliation:
Anderson Junior College, 4500 Ang Mo Kio Avenue 6, Singapore 569843, Singapore
Yi Yin Tan
Affiliation:
Raffles Institution, 1 Raffles Institution Lane, Singapore 575954, Singapore.
Sergei Manzhos*
Affiliation:
Department of Mechanical Engineering, National University of Singapore, Block EA #07-08, 9 Engineering Drive 1, Singapore 117576, Singapore
*
*Email: [email protected]
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Abstract

We present rational computational design of phenothiazine dyes for dye-sensitized solar cells containing different five-membered rings (thiophene, furan, and selenophene) by a combined strategy of modified conjugation order and functionalization leading to the quinoidization of the ring. We predict that it is possible to lower the excitation energy by 20% vs. the parent dye by the combination of: change in the conjugation order of the methine unit, its functionalization by the CN group, and replacement of the thiophene ring by furan.

Keywords

absorptionelectronic structureorganic
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1667: Symposium B – Organic and Inorganic Materials for Dye-Sensitized Solar Cells , 2014 , mrss14-1667-b07-03
Copyright
Copyright © Materials Research Society 2014 

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References

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