Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells (Articolo in rivista)

Type
Label
  • Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells (Articolo in rivista) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp303781v (literal)
Alternative label
  • Giuseppe Mattioli, Claudio Melis, Giuliano Malloci, Francesco Filippone, Paola Alippi, Paolo Giannozzi, Alessandro Mattoni, Aldo Amore Bonapasta (2012)
    Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells
    in Journal of physical chemistry. C; ACS, American chemical society, Washington, DC (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Giuseppe Mattioli, Claudio Melis, Giuliano Malloci, Francesco Filippone, Paola Alippi, Paolo Giannozzi, Alessandro Mattoni, Aldo Amore Bonapasta (literal)
Pagina inizio
  • 1539 (literal)
Pagina fine
  • 15448 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 116 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 29 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto di Struttura della Materia del CNR, v. Salaria Km 29,300 - C.P. 10 I-00015, Monterotondo Stazione (RM), Italy Department of Physics, University of Cagliari, Cittadella Universitaria, 09042 Monserrato (Ca), Italy Istituto per l'Officina dei Materiali (CNR-IOM), UOS Cagliari SLACS, Cittadella Universitaria, I-09042 Monserrato (Ca), Italy Department of Chemistry, Physics, and Environment, University of Udine, via delle Scienze 208, 33100 Udine, Italy DEMOCRITOS IOM-CNR National Simulation Center, 34014 Trieste, Italy (literal)
Titolo
  • Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells (literal)
Abstract
  • The structural, electronic, and optical properties of a hybrid interface formed by zinc phthalocyanine (ZnPc) molecules adsorbed on the (101?0) zinc oxide (ZnO) surface have been investigated by using ab initio and model potential theoretical methods. In particular, the attention has been focused on the effects of molecular assembling on the interface properties by considering cofacial and planar molecular aggregates on the surface. Present results show that planar aggregations provide a remarkable molecule-to-surface electronic coupling which can favor electron injection toward the substrate. Furthermore, we predict a blue shift of absorption bands in the case of cofacial aggregation and a red shift in the case of nanostructured planar J-stripes, which are in agreement with previous phenomenological models and give a firm theoretical support to observed relationships between red shift and molecular assembling. All together, present results indicate that structural and electronic properties can be achieved in ZnPc-sensitized ZnO surfaces of high potential interest for improving the efficiency of different kinds of hybrid photovoltaic cells. (literal)
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