Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements (Articolo in rivista)

Type

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

Label

• Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements (Articolo in rivista) (literal)

Anno

• 2007-01-01T00:00:00+01:00 (literal)

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

• 10.1103/PhysRevLett.98.016102 (literal)

Alternative label

• Mazzarello, R 1,2 ; Cossaro, A 3; Verdini, A 3; Rousseau, R 1; Casalis, L 4; Danisman, MF 5; Floreano, L 3; Scandolo, S 2; Morgante, A 3,6; Scoles, G 1,4,5 (2007)
  Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements
  in Physical review letters (Print)
  (literal)

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

• Mazzarello, R 1,2 ; Cossaro, A 3; Verdini, A 3; Rousseau, R 1; Casalis, L 4; Danisman, MF 5; Floreano, L 3; Scandolo, S 2; Morgante, A 3,6; Scoles, G 1,4,5 (literal)

Pagina inizio

• 016102 (literal)

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

• 98 (literal)

Rivista

• Physical review letters (Rivista)

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

• 4 (literal)

Note

• ISI Web of Science (WOS) (literal)

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

• 1 Scuola Int Super Studi Avanzati, Trieste, Italy; 2 Adbus Salam Int Ctr Theoret Phys, Trieste, Italy AND Democritos Natl Simulat Ctr, INFM, Trieste, Italy; 3 CNR, INFM, Lab TASC, Trieste, Italy; 4 Sincrotrone Trieste, I-34012 Trieste, Italy; 5 Princeton Univ, Dept Chem, Princeton, NJ 08544 USA; 6 Univ Trieste, Dept Phys, Trieste, Italy (literal)

Titolo

• Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements (literal)

Abstract

• We have investigated the controversy surrounding the (root 3x root 3)R30 degrees structure of self-assembled monolayers of methylthiolate on Au(111) by first principles molecular dynamics simulations, energy and angle resolved photoelectron diffraction, and grazing incidence x-ray diffraction. Our simulations find a dynamic equilibrium between bridge site adsorption and a novel structure where 2 CH3S radicals are bound to an Au adatom that has been lifted from the gold substrate. As a result, the interface is characterized by a large atomic roughness with both adatoms and vacancies. This result is confirmed by extensive photoelectron and grazing incidence x-ray diffraction measurements. (literal)

Prodotto di

• MD.P06.016.001 Proprieta' elettroniche e strutturali di sistemi a bassa dimensionalita' (MD.P06.016.003) (Modulo)

Autore CNR

• SANDRO SCANDOLO (Unità di personale esterno)
• ALBERTO VERDINI (Unità di personale interno)
• ALBANO COSSARO (Persona)
• LUCA FLOREANO (Persona)
• ALBERTO MORGANTE (Unità di personale esterno)

Insieme di parole chiave

• Keywords of "Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements" (Insieme di parole chiave)

Incoming links:

Autore CNR di

• ALBANO COSSARO (Persona)
• LUCA FLOREANO (Persona)
• ALBERTO VERDINI (Unità di personale interno)
• SANDRO SCANDOLO (Unità di personale esterno)
• ALBERTO MORGANTE (Unità di personale esterno)

Prodotto

• MD.P06.016.001 Proprieta' elettroniche e strutturali di sistemi a bassa dimensionalita' (MD.P06.016.003) (Modulo)

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

• Physical review letters (Rivista)

Insieme di parole chiave di

• Keywords of "Structure of a CH3S monolayer on Au(111) solved by the interplay between molecular dynamics calculations and diffraction measurements" (Insieme di parole chiave)