Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization (Articolo in rivista) (literal)

Anno

• 2014-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1016/j.tsf.2013.08.112 (literal)

Alternative label

• Maria Grazia Lobello (a); Simona Fantacci (a); Norberto Manfredi (b); Carmine Coluccini (b); Alessandro Abbotto (b); Mohammed K. Nazeeruddin (c); Filippo De Angelis (a) (2014)
  Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization
  in Thin solid films (Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Maria Grazia Lobello (a); Simona Fantacci (a); Norberto Manfredi (b); Carmine Coluccini (b); Alessandro Abbotto (b); Mohammed K. Nazeeruddin (c); Filippo De Angelis (a) (literal)

Pagina inizio

• 86 (literal)

Pagina fine

• 93 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url

• http://www.sciencedirect.com/science/article/pii/S0040609013014259 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 560 (literal)

Rivista

• Thin solid films (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 8 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 0 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• a Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Molecolari, Via elce di Sotto 8, I-06213 Perugia, Italy b Department of Materials Science and Milano-Bicocca Solar Energy Research Center-MIB-Solar, University of Milano-Bicocca and INSTM, Via Cozzi 53, I-20125 Milano, Italy c Laboratory for Photonics and Interfaces, Station 6, Institute of Chemical Sciences and Engineering, School of Basic Sciences, Swiss Federal Institute of Technology, CH-1015 Lausanne, Switzerland (literal)

Titolo

• Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization (literal)

Abstract

• Abstract We report the design, synthesis and computational investigation of a class of Ru(II)-dyes based on mixed bipyridine ligands for use in dye-sensitized solar cells. These dyes are designed to preserve the optimal anchoring mode of the prototypical {N719} sensitizer by three carboxylic groups, yet allowing for tunable optimization of their electronic and optical properties by selective substitution at one of the 4-4? positions of a single bipyridine ligand with ?-excessive heteroaromatic groups. We used Density Functional Theory/Time Dependent Density Functional Theory calculations to analyze the electronic structure and optical properties of the dye and to investigate the dye adsorption mode on a TiO2 nanoparticle model. Our results show that we are effectively able to introduce three carboxylic anchoring units into the dye and achieve at the same time an enhanced dye light harvesting, demonstrating the design concept. As a drawback of this type of dyes, the synthesis leads to a mixture of dye isomers, which are rather tedious to separate. (literal)

Prodotto di

• Design e test di sensibilizzatori e materiali per celle solari fotosensibilizzate (PM.P04.012.001) (Modulo)
• Proprietà ottiche lineari e non-lineari di sistemi complessi e materiali (PM.P07.003.005) (Modulo)
• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)

Autore CNR

• FILIPPO DE ANGELIS (Persona)
• Maria Grazia Lobello (Persona)
• SIMONA FANTACCI (Persona)

Insieme di parole chiave

• Keywords of "Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto di scienze e tecnologie molecolari (ISTM) (Istituto)
• Proprietà ottiche lineari e non-lineari di sistemi complessi e materiali (PM.P07.003.005) (Modulo)
• Design e test di sensibilizzatori e materiali per celle solari fotosensibilizzate (PM.P04.012.001) (Modulo)

Autore CNR di

• FILIPPO DE ANGELIS (Persona)
• SIMONA FANTACCI (Persona)
• Maria Grazia Lobello (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Thin solid films (Rivista)

Insieme di parole chiave di

• Keywords of "Design of Ru(II) sensitizers endowed by three anchoring units for adsorption mode and light harvesting optimization" (Insieme di parole chiave)