TY - JOUR
T1 - Thiocyanate-free ruthenium(II) cyclometalated complexes containing uncommon thiazole and benzothiazole chromophores for dye-sensitized solar cells
AU - Siu, Chi Ho
AU - Ho, Cheuk Lam
AU - He, Jian
AU - Chen, Tao
AU - Cui, Xiaoneng
AU - Zhao, Jianzhang
AU - Wong, Wai Yeung
N1 - Funding Information:
The first two authors contributed equally to this work. We thank Hong Kong Baptist University ( FRG2/10-11/101 ), Hong Kong Research Grants Council ( HKBU203011 ) and Areas of Excellence Scheme, University Grants Committee of HKSAR (project No. [ AoE/P-03/08 ]), the National Natural Science Foundation of China (project number 21029001 ), the Science, Technology and Innovation Committee of Shenzhen Municipality ( JCYJ20120829154440583 ) and Dalian University of Technology (Haitian Scholarship for W.-Y.W.) for financial support.
PY - 2013/12/15
Y1 - 2013/12/15
N2 - Four novel thiocyanate-free ruthenium(II) complexes based on thiazole and benzothiazole cyclometalating ligands were synthesized, characterized and applied in dye-sensitized solar cells (DSSCs). Their photophysical, electrochemical, thermal and photovoltaic properties have been investigated and the experimental results can be correlated well with the computational results obtained by density functional theory (DFT) calculations. Based on the DFT results, the HOMO of the complexes is localized on the electron-donating carbazole or triphenylamine unit whereas the LUMO mainly lies on 4,4′-dicarboxyl-2,2′-bipyridine. These dyes exhibit good thermal stability with the onset decomposition temperature at 5% weight-loss (T d) over 360 C. For the DSSC device using the dye with the benzothiazole/carbazole-based cyclometalating ligand, the power conversion efficiency (η) can reach up to 2.98%, with a short-circuit photocurrent density (Jsc) of 6.25 mA cm-2, an open-circuit photovoltage (Voc) of 0.659 V and a high fill factor (ff) of 0.724 under illumination of an AM 1.5 solar cell simulator.
AB - Four novel thiocyanate-free ruthenium(II) complexes based on thiazole and benzothiazole cyclometalating ligands were synthesized, characterized and applied in dye-sensitized solar cells (DSSCs). Their photophysical, electrochemical, thermal and photovoltaic properties have been investigated and the experimental results can be correlated well with the computational results obtained by density functional theory (DFT) calculations. Based on the DFT results, the HOMO of the complexes is localized on the electron-donating carbazole or triphenylamine unit whereas the LUMO mainly lies on 4,4′-dicarboxyl-2,2′-bipyridine. These dyes exhibit good thermal stability with the onset decomposition temperature at 5% weight-loss (T d) over 360 C. For the DSSC device using the dye with the benzothiazole/carbazole-based cyclometalating ligand, the power conversion efficiency (η) can reach up to 2.98%, with a short-circuit photocurrent density (Jsc) of 6.25 mA cm-2, an open-circuit photovoltage (Voc) of 0.659 V and a high fill factor (ff) of 0.724 under illumination of an AM 1.5 solar cell simulator.
KW - Carbazole
KW - Density functional theory
KW - Dye-sensitized solar cells
KW - Photosensitizers
KW - Ruthenium
UR - http://www.scopus.com/inward/record.url?scp=84887057267&partnerID=8YFLogxK
U2 - 10.1016/j.jorganchem.2013.04.023
DO - 10.1016/j.jorganchem.2013.04.023
M3 - Journal article
AN - SCOPUS:84887057267
SN - 0022-328X
VL - 748
SP - 75
EP - 83
JO - Journal of Organometallic Chemistry
JF - Journal of Organometallic Chemistry
ER -
