Structural Properties of Azobenzene Self-Assembled Mono layers by Atomistic Simulations (Articolo in rivista)

Type

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

Label

• Structural Properties of Azobenzene Self-Assembled Mono layers by Atomistic Simulations (Articolo in rivista) (literal)

Anno

• 2013-01-01T00:00:00+01:00 (literal)

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

• 10.1021/la401645k (literal)

Alternative label

• Pipolo, Silvio; Benassi, Enrico; Corni, Stefano (2013)
  Structural Properties of Azobenzene Self-Assembled Mono layers by Atomistic Simulations
  in Langmuir
  (literal)

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

• Pipolo, Silvio; Benassi, Enrico; Corni, Stefano (literal)

Pagina inizio

• 10505 (literal)

Pagina fine

• 10512 (literal)

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

• 29 (literal)

Rivista

• Langmuir (Rivista)

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

• 8 (literal)

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

• 33 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• CNR Inst Nanosci (literal)

Titolo

• Structural Properties of Azobenzene Self-Assembled Mono layers by Atomistic Simulations (literal)

Abstract

• Azobenzene self-assembled monolayers (SAMs) are examples of optomechanical nanostructures capable of producing mechanical work through the wellknown azobenzene photoisomerization process. Experimental studies have provided information on their structural properties, but an atomistic description of the SAMs in both the cis and trans forms is still lacking. In this work, a computational investigation of the SAM structures is conducted by classical molecular dynamics with a dedicated force. Experimental data on the SAM unit cell is used to set up SAM models of different molecular densities. The optimal structures are identified through the comparison with structural data from X-ray photoelectron and near-edge X-ray absorption fine structure spectroscopies. The resulting SAM atomistic models are validated by comparing simulated and experimental scanning tunneling microscopy images. (literal)

Prodotto di

• Nanobiosistemi (MD.P06.010.002) (Modulo)

Autore CNR

• ENRICO BENASSI (Unità di personale esterno)
• SILVIO PIPOLO (Persona)
• STEFANO CORNI (Persona)

Incoming links:

Autore CNR di

• STEFANO CORNI (Persona)
• ENRICO BENASSI (Unità di personale esterno)
• SILVIO PIPOLO (Persona)

Prodotto

• Nanobiosistemi (MD.P06.010.002) (Modulo)

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

• Langmuir (Rivista)