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Computational design of new organics dyes with improved solar absorbance for dye-sensitized solar cells

Published online by Cambridge University Press:  21 March 2013

Sergei Manzhos
Sergei Manzhos*
Affiliation:
Department of Mechanical Engineering, Faculty of Engineering, National University of Singapore, Block EA #07-08, 9 Engineering Drive 1, Singapore 117576, Singapore
*
Address all correspondence to Sergei Manzhos at mpemanzh@nus.edu.sg
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Abstract

Two new organic dyes, WS-2.1 and WS-2.2—derivatives of the known dye WS-2—are computationally designed using a recently developed approach with a broad absorption peak at around 775 nm in acetonitrile for WS-2.2 versus 610 nm for WS-2. The red shift includes a significant contribution due to vibrations and is not reproduced by standard computational methods. The oxidation and reduction potentials of the dye render it well suited for use in dye-sensitized solar cells.

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Type
Ultra-Rapid Communications
Information
MRS Communications , Volume 3 , Issue 1 , March 2013 , pp. 37 - 39
Copyright
Copyright © Materials Research Society 2013

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References

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