scholarly journals Combining phosphonic acid-functionalized anchoring ligands with asymmetric ancillary ligands in bis(diimine)copper(i) dyes for dye-sensitized solar cells

RSC Advances ◽  
2016 ◽  
Vol 6 (7) ◽  
pp. 5205-5213 ◽  
Author(s):  
Annika Büttner ◽  
Sven Y. Brauchli ◽  
Raphael Vogt ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft

A 6,6′-dimethyl substitution pattern in Lanchor in [Cu(Lanchor)(Lancillary)]+ dyes in DSCs is superior to two phenyl groups, even when steric crowding is alleviated by using asymmetric Lancillary.

RSC Advances ◽  
2014 ◽  
Vol 4 (66) ◽  
pp. 34801-34815 ◽  
Author(s):  
Sven Y. Brauchli ◽  
Biljana Bozic-Weber ◽  
Edwin C. Constable ◽  
Nik Hostettler ◽  
Catherine E. Housecroft ◽  
...  

A detailed study of how two factors (substituents on ancillary ligands and solvents during dye assembly) affect performances of copper(i) diimine dyes in DSCs with phosphonic acid anchoring groups is presented.


2017 ◽  
Vol 121 (16) ◽  
pp. 8752-8759 ◽  
Author(s):  
Wang-Chao Chen ◽  
Fan-Tai Kong ◽  
Rahim Ghadari ◽  
Zhao-Qian Li ◽  
Xue-Peng Liu ◽  
...  

2016 ◽  
Vol 116 (16) ◽  
pp. 9485-9564 ◽  
Author(s):  
Babak Pashaei ◽  
Hashem Shahroosvand ◽  
Michael Graetzel ◽  
Mohammad Khaja Nazeeruddin

2011 ◽  
Vol 2011 ◽  
pp. 1-11 ◽  
Author(s):  
Xiaoqing Lu ◽  
Shuxian Wei ◽  
Chi-Man Lawrence Wu ◽  
Ning Ding ◽  
Shaoren Li ◽  
...  

The design of light-absorbent dyes with cheaper, safer, and more sustainable materials is one of the key issues for the future development of dye-sensitized solar cells (DSSCs). We report herein a theoretical investigation on a series of polypyridyl Fe(II)-based complexes of FeL2(SCN)2, [FeL3]2+, [FeL′(SCN)3]-, [FeL′2]2+, and FeL′′(SCN)2(L = 2,2′-bipyridyl-4,4′-dicarboxylic acid, L′ = 2,2′,2″-terpyridyl-4,4′,4″-tricarboxylic acid, L″= 4,4‴-dimethyl-2,2′ : 6′,2″ :6″,2‴-quaterpyridyl-4′,4″-biscarboxylic acid) by density functional theory (DFT) and time-dependent DFT (TD-DFT). Molecular geometries, electronic structures, and optical absorption spectra are predicted in both the gas phase and methyl cyanide (MeCN) solution. Our results show that polypyridyl Fe(II)-based complexes display multitransition characters of Fe → polypyridine metal-to-ligand charge transfer and ligand-to-ligand charge transfer in the range of 350–800 nm. Structural optimizations by choosing different polypyridyl ancillary ligands lead to alterations of the molecular orbital energies, oscillator strength, and spectral response range. Compared with Ru(II) sensitizers, Fe(II)-based complexes show similar characteristics and improving trend of optical absorption spectra along with the introduction of different polypyridyl ancillary ligands.


2017 ◽  
Vol 41 (13) ◽  
pp. 5605-5612 ◽  
Author(s):  
Radhakrishnan Sivakumar ◽  
Rodrigo Recabarren ◽  
Sekar Ramkumar ◽  
Arumugam Manivel ◽  
Jans Alzate-Morales ◽  
...  

A new type of ruthenium sensitizers, S3 and S4, consisting of carbazole–diazafluorene based bipolar ancillary ligands have been synthesized and characterized for dye sensitized solar cells.


2015 ◽  
Vol 44 (33) ◽  
pp. 14697-14706 ◽  
Author(s):  
Tejaswi Jella ◽  
Malladi Srikanth ◽  
Rambabu Bolligarla ◽  
Yarasi Soujanya ◽  
Surya Prakash Singh ◽  
...  

Three new heteroleptic Ru(ii) polypyridyl complexes have been designed with a pyridine-benzimidazole functionalized ligand for dye-sensitized solar cells.


2016 ◽  
Vol 45 (11) ◽  
pp. 4659-4672 ◽  
Author(s):  
Y. Maximilian Klein ◽  
Markus Willgert ◽  
Alessandro Prescimone ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft

Phosphonic acid-functionalized bpy ligands with 2-thienyl spacers are effective anchors in [Cu(Lanchor)(Lancillary)]+ dyes; DSC performance depends on the position of substitution of the PO(OH)2 group.


Polyhedron ◽  
2014 ◽  
Vol 82 ◽  
pp. 116-121 ◽  
Author(s):  
Frederik J. Malzner ◽  
Sven Y. Brauchli ◽  
Ewald Schönhofer ◽  
Edwin C. Constable ◽  
Catherine E. Housecroft

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