Supramolecular organization of chiral molecules on metallic surfaces: D-alaninol on Cu(100) as a case study (Articolo in rivista)

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Label
  • Supramolecular organization of chiral molecules on metallic surfaces: D-alaninol on Cu(100) as a case study (Articolo in rivista) (literal)
Anno
  • 2010-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/pssc.200983821 (literal)
Alternative label
  • Gori P., Contini G., Prosperi T., Zema N., Ronci F., Colonna S., Cricenti A., Turchini S., Catone D., Aschi M., Palma A. (2010)
    Supramolecular organization of chiral molecules on metallic surfaces: D-alaninol on Cu(100) as a case study
    in Physica status solidi. C, Current topics in solid state physics (Print); Wiley-VCH Verlag Gmbh, Weinheim (Germania)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Gori P., Contini G., Prosperi T., Zema N., Ronci F., Colonna S., Cricenti A., Turchini S., Catone D., Aschi M., Palma A. (literal)
Pagina inizio
  • 2616 (literal)
Pagina fine
  • 2619 (literal)
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  • 7 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note
  • http://dx.doi.org/10.1002/pssc.200983821 (literal)
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  • Istituto di Struttura della Materia, CNR, Via Fosso del Cavaliere 100, 00133 Rome, Italy Università de L'Aquila, Dipartimento di Chimica, Ingegneria Chimica e Materiali - Coppito (AQ), L'Aquila, Italy Istituto per lo Studio dei Materiali Nanostrutturati, CNR, Via Salaria Km 29.3, 00016 Monterotondo S. (RM), Italy (literal)
Titolo
  • Supramolecular organization of chiral molecules on metallic surfaces: D-alaninol on Cu(100) as a case study (literal)
Abstract
  • The adsorption configuration of a chiral amino alcohol, Dalaninol, on Cu(100) is studied with DFT ab-initio calculations. We address the case of the formation of a self-assembled monolayer that is experimentally found when depositing the molecule at room temperature. Preliminary calculations are performed for a cluster of four isolated molecules in gas phase, both at the MP2 and GGA-DFT level. Further results deal with the adsorption on the copper surface. STM images of two candidates structures are simulated and compared with experiments (literal)
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