Engineering of Ru(II) dyes for interfacial and light-harvesting optimization

被引：20

作者：

Lobello, Maria Grazia ^{[1
]}

Wu, Kuan-Lin ^{[3
,4
,5
]}

Reddy, Marri Anil ^{[2
]}

Marotta, Gabriele ^{[1
]}

Graetzel, Michael ^{[3
]}

Nazeeruddin, Mohammad K. ^{[3
]}

Chi, Yun ^{[4
,5
]}

Chandrasekharam, Malapaka ^{[2
]}

Vitillaro, Giuseppe ^{[1
]}

De Angelis, Filippo ^{[1
]}

机构：

[1] CNR ISTM, Computat Lab Hybrid Organ Photovolta CLHYO, I-06213 Perugia, Italy

[2] Indian Inst Chem Technol, CSIR, Inorgan & Phys Chem Lab, Hyderabad 500007, Andhra Pradesh, India

[3] Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, Lab Photon & Interfaces, CH-1015 Lausanne, Switzerland

[4] Natl Tsing Hua Univ, Dept Chem, Hsinchu 30013, Taiwan

[5] Natl Tsing Hua Univ, Low Carbon Energy Res Ctr, Hsinchu 30013, Taiwan

来源：

DALTON TRANSACTIONS | 2014年 / 43卷 / 07期

关键词：

SENSITIZED SOLAR-CELLS; CHARGE-TRANSFER; RUTHENIUM SENSITIZER; BASIS-SETS; AB-INITIO; ABSORPTIVITY; PERFORMANCE; CONVERSION; COMPLEXES; MOLECULES;

D O I：

10.1039/c3dt53272k

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A new Ru(II) dye, Ru(L1)(L2) (NCS)(2), L1 = (4-(5-hexylthiophen-2-yl)-4'(4-carboxyl-phenyl 2,2'-bipyridine) and L2 = (4-4'-dicarboxy-2,2'- bipyridine), labelled MC112, based on a dissymmetric bipyridine ligand for improved interfacial and optical properties, was synthesized and used in DSCs, yielding photovoltaic efficiencies of 7.6% under standard AM 1.5 sunlight and an excellent device stability. Increased light harvesting and IPCE maximum were observed with MC112 compared to the prototypical homoleptic N719 dye, due to the functionalized bipyridyne ligand acting as an antenna. In addition, the mixed bipyridyne ligand allowed MC112 binding to TiO2 to occur via three anchoring carboxylic groups, thus exhibiting similar interfacial properties to those of the N719 dye. DFT/TDDFT calculations were performed on the new dye, both in solution and adsorbed on a TiO2 surface model, revealing that the peculiar photovoltaic properties of the MC112 dye are related to its anchoring mode. The new design rule thus allows us to engineer both light-harvesting and interfacial properties in the same dye.

引用

页码：2726 / 2732

页数：7

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