This paper reports the application of the Ru2+, Cu+, and Fe2+ complexes in form of RuL2(SCN)2, CuL2(SCN)2 for dye-sensitized solar cell (DSSC) development. The calculation results, given by quantum chemistry, demonstrated that the complex containing copper is more suitable than the one containing iron. The modification of Cu(I) complex by using various numbers of ligands enhanced photon absorption capacity as well as the absorption range. The addition of an organic ligand such as an electron attraction group to the benzene ring gave a better result as compared to the inorganic ones. Based on the analysis conducted, CuM2(SCN)2 is considered as potential material for N3 replacement.

Reference

Reference
1.
O'Regan
,
B.
, and
Grätzel
,
M.
,
1991
, A low-cost, “
High-Efficiency Solar Cell Based on Dye-Sensitized Colloidal TiO2 Films
,”
Nature
,
353
(6346), pp.
737
740
.10.1038/353737a0
2.
Robertson
,
N.
,
2006
, “
Optimizing Dyes for Dye-Sensitized Solar Cells
,”
Angew. Chem. Int. Ed. Engl.
,
45
(
15
), pp.
2338
2345
.10.1002/anie.200503083
3.
Hamann
,
T. W.
,
Jensen
,
R. A.
,
Martinson
,
A. B. F.
,
van Ryswyk
,
H.
, and
Hupp
,
J. T.
,
2008
, “
Advancing Beyond Current Generation Dye-Sensitized Solar Cells
,”
Energy Environ. Sci.
,
1
(1), pp.
66
78
.10.1039/b809672d
4.
Grätzel
,
M
.,
2009
, “
Recent Advances in Sensitized Mesoscopic Solar Cells
,”
Acc. Chem. Res.
,
42
(
11
), pp.
1788
1798
.10.1021/ar900141y
5.
Wu
,
J. H.
,
Lan
,
Z.
,
Lin
,
J. M.
,
Huang
,
M. L.
,
Hao
,
S. C.
,
Sato
,
T.
, and
Yin
,
S.
,
2007
, “
A Novel Thermosetting Gel Electrolyte for Stable Quasi-Solid-State Dye-Sensitized Solar Cells
,”
Adv. Mater.
,
19
(
22
), pp.
4006
4011
.10.1002/adma.200602886
6.
Wu
,
J.
,
Hao
,
S.
,
Lan
,
Z.
,
Lin
,
J.
,
Huang
,
M.
,
Huang
,
Y.
,
Li
,
P.
,
Yin
,
S.
, and
Sato
,
T.
,
2008
, “
An All-Solid-State Dye-Sensitized Solar Cell-Based Poly(N-Alkyl-4-Vinyl-Pyridine Iodide) Electrolyte With Efficiency of 5.64%
,”
J. Am. Chem. Soc.
,
130
(
35
), pp.
11568
11569
.10.1021/ja802158q
7.
Dloczik
,
L.
,
Ileperuma
,
O.
,
Lauermann
,
I.
,
Peter
,
L. M.
,
Ponomarev
,
E. A.
,
Redmond
,
G.
,
Shaw
,
N. J
, and
Uhlendorf
,
I.
,
1997
, “
Dynamic Response of Dye-Sensitized Nanocrystalline Solar Cells: Characterization by Intensity-Modulated Photocurrent Spectroscopy
,”
J. Phys. Chem. B
,
101
(
49
), pp.
10281
10289
.10.1021/jp972466i
8.
Jitchati
,
R.
,
Thathong
,
Y.
, and
Wongkhan
,
K.
,
2012
, “
Three Synthetic Routes to a Commercial N3 Dye
,”
Int. J. Appl. Phys. Math.
,
2
(
2
), pp.
107
110
.10.7763/IJAPM.2012.V2.64
9.
Hamann
,
D. R.
,
Schluter
,
M.
, and
Chiang
,
C.
,
1979
, “
Norm-Conserving Pseudopotentials
,”
Phys. Rev. Lett.
,
43
(20), pp.
1494
1497
.10.1103/PhysRevLett.43.1494
10.
Castro
,
A.
,
Appel
,
H.
,
Oliveira
,
M.
,
Rozzi
,
C. A.
,
Andrade
,
X.
,
Lorenzen
,
F.
,
Marques
,
M. A. L.
,
Gross
,
E. K. U.
, and
Rubio
,
A.
,
2006
, “
Octopus: A Tool for the Application of Time-Dependent Density Functional Theory
,”
Phys. Status Solidi B.
,
243
(
11
), pp.
2465
2488
.10.1002/pssb.200642067
11.
Grätzel
,
M.
,
2003
, “
Dye-Sensitized Solar Cells
,”
J. Photochem. Photobiol. C.
,
4
(
2
), pp.
145
153
.10.1016/S1389-5567(03)00026-1
12.
Mayer
,
I.
,
1986
, “
Bond Orders and Valences From Ab Initio Wave Functions
,”
Int. J. Quantum Chem.
,
29
(
3
), pp.
477
483
.10.1002/qua.560290320
13.
Dragonetti
,
C.
,
Valore
,
A.
,
Colombo
,
A.
,
Roberto
,
D.
,
Trifiletti
,
V.
,
Manfredi
,
N.
,
Salamone
,
M. M.
,
Ruffo
,
R.
, and
Abbotto
,
A.
,
2012
, “
A New Thiocyanate-Free Cyclometallated Ruthenium Complex for Dye-Sensitized Solar Cells: Beneficial Effects of Substitution on the Cyclometallated Ligand
,”
J. Organomet. Chem.
,
714
, pp.
88
93
.10.1016/j.jorganchem.2012.03.011
14.
Liu
,
P.
,
Fu
,
J. J.
,
Guo
,
M. S.
,
Zuo
,
X.
, and
Liao
,
Y.
,
2013
, “
Effect of the Chemical Modifications of Thiophene-Based N3 Dyes on the Performance of Dye-Sensitized Solar Cells: A Density Functional Theory Study
,”
Comput. Theor. Chem.
,
1015
, pp.
8
14
.10.1016/j.comptc.2013.03.029
You do not currently have access to this content.