Self-Assembling of Zinc Phthalocyanines on ZnO (10(1)over-bar0) Surface through Multiple Time Scales (Articolo in rivista)

Type

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

Label

• Self-Assembling of Zinc Phthalocyanines on ZnO (10(1)over-bar0) Surface through Multiple Time Scales (Articolo in rivista) (literal)

Anno

• 2011-01-01T00:00:00+01:00 (literal)

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

• 10.1021/nn203105w (literal)

Alternative label

• Melis, C (Melis, Claudio)1,2; Raiteri, P (Raiteri, Paolo)3; Colombo, L (Colombo, Luciano)1,2; Mattoni, A (Mattoni, Alessandro)2 (2011)
  Self-Assembling of Zinc Phthalocyanines on ZnO (10(1)over-bar0) Surface through Multiple Time Scales
  in ACS nano
  (literal)

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

• Melis, C (Melis, Claudio)1,2; Raiteri, P (Raiteri, Paolo)3; Colombo, L (Colombo, Luciano)1,2; Mattoni, A (Mattoni, Alessandro)2 (literal)

Pagina inizio

• 9639 (literal)

Pagina fine

• 9647 (literal)

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

• 5 (literal)

Rivista

• ACS nano (Rivista)

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

• 12 (literal)

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

• 1. Univ Cagliari, Dipartimento Fis, I-09042 Monserrato, Ca, Italy 2. Inst Off Mat CNR UOS Cagliari, I-09042 Monserrato, Ca, Italy 3. Curtin Univ Technol, Dept Chem, Nanochem Res Inst, Perth, WA 6845, Australia (literal)

Titolo

• Self-Assembling of Zinc Phthalocyanines on ZnO (10(1)over-bar0) Surface through Multiple Time Scales (literal)

Abstract

• We adopt a hierarchic combination of theoretical methods to study the assembling of zinc phthalocyanines (ZnPcs) on a ZnO (10 (1) over bar0) surface through multiple time scales. Atomistic simulations, such as model potential molecular dynamics and metadynamics, are used to study the energetics and short time evolution (up to similar to 100 ns) of small ZnPc aggregates. The stability and the lifetime of large clusters Is then studied by means of an atomistically Informed coarse-grained model using classical molecular dynamics. Finally, the macroscopic time scale clustering phenomenon is studied by Metropolis Monte Carlo algorithms as a function of temperature and surface coverage. We provide evidence that at room temperature the aggregation is likely to occur at sufficiently high coverage, and we characterize the nature, morphology, and lifetime of ZnPc's clusters. We identify the molecular stripes oriented along [010] crystallographic directions as the most energetically stable aggregates. (literal)

Prodotto di

• MD.P06.014.001 Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.002) (Modulo)

Autore CNR

• Claudio Melis (Unità di personale esterno)
• ALESSANDRO MATTONI (Unità di personale interno)
• LUCIANO COLOMBO (Unità di personale esterno)

Incoming links:

Autore CNR di

• ALESSANDRO MATTONI (Unità di personale interno)
• LUCIANO COLOMBO (Unità di personale esterno)
• Claudio Melis (Unità di personale esterno)

Prodotto

• MD.P06.014.001 Teoria e modeling computazionale di materiali e processi per le nanoscienze (MD.P06.014.002) (Modulo)

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

• ACS nano (Rivista)