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research article

Cyclometalated Ruthenium Dyes for DSSC

Yoneda, Eiji
•
Nazeeruddin, Mohammad K.  
•
Graetzel, Michael  
2012
Journal Of Photopolymer Science And Technology

A novel thiocyanate-free cyclometalated ruthenium sensitizer for solar cells is designed and developed. Upon anchoring to nanocrystalline TiO2 films, it exhibits a remarkable incident monochromatic photon-to-current conversion efficiency of 83%. The solar cell employing a liquid-based electrolyte exhibits a short circuit photocurrent density of 17 mA/cm(2), an open circuit voltage of 800 mV, and a fill factor of 0.74, corresponding to an overall conversion efficiency of 10.1% at standard AM 1.5 sunlight. To understand the structural, electronic, and optical properties of the cyclometalleted ruthenium sensitizer, we have investigated using density functional theory (DFT) and time-dependent DFT (TDDFT). Our results show the HOMO is located mostly on ruthenium and cyclometalated ligand, while the LUMO is on 4-carboxylic acid-4'-carboxylate-2,2'-bipyridine. Molecular orbitals analysis confirmed the experimental assignment of redox potentials, and TDDFT calculations allowed assignment of the visible absorption bands. The present findings provide new design criteria for the next generation of ruthenium sensitizers and help foster widespread interest in the engineering of new sensitizers that interact effectively with the I-/I-3(-) redox couple.

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Type
research article
DOI
10.2494/photopolymer.25.175
Web of Science ID

WOS:000307604900009

Author(s)
Yoneda, Eiji
•
Nazeeruddin, Mohammad K.  
•
Graetzel, Michael  
Date Issued

2012

Publisher

Technical Assoc of Photopolymers Japan

Published in
Journal Of Photopolymer Science And Technology
Volume

25

Issue

2

Start page

175

End page

181

Subjects

DSSC

•

ruthenium

•

cyclometalated

Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LPI  
Available on Infoscience
February 27, 2013
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/89887
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