A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications (Articolo in rivista)

Type

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

Label

• A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications (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.poly.2014.05.010 (literal)

Alternative label

• Lobello M.G.; De Angelis F.; Fantacci S. (2014)
  A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications
  in Polyhedron
  (literal)

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

• Lobello M.G.; De Angelis F.; Fantacci S. (literal)

Pagina inizio

• 88 (literal)

Pagina fine

• 103 (literal)

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

• http://www.scopus.com/inward/record.url?eid=2-s2.0-84907895332&partnerID=q2rCbXpz (literal)

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

• 82 (literal)

Rivista

• Polyhedron (Rivista)

Note

• Scopu (literal)

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

• Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Molecolari, Via Elce di Sotto 8, Perugia, I-06123, Italy (literal)

Titolo

• A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications (literal)

Abstract

• We provide a unified review of recent work carried out on computational investigations of a large series of Ru(II)-polypyridyl complexes effectively employed as solar cells sensitizers in dye-sensitized solar cells (DSCs). The use of methods rooted into Density Functional Theory (DFT) and its Time-Dependent extension (TDDFT) are demonstrated to be powerful tools to describe the electronic and optical properties of metallorganic ruthenium solar cells sensitizers, allowing us to unravel the interplay between their UV-Vis spectral changes and the complexes acid-base properties. This theoretical approach can be used to reproduce and understand the experimental data and also to design and predict the electronic and optical properties of new ruthenium-based sensitizer dyes. (literal)

Prodotto di

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

Autore CNR

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

Insieme di parole chiave

• Parole chiave di "A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications" (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

• Polyhedron (Rivista)

Insieme di parole chiave di

• Parole chiave di "A computational approach to the electronic, optical and acid-base properties of Ru(II) dyes for photoelectrochemical solar cells applications" (Insieme di parole chiave)