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2005-02-22 - Article/Dans un journal avec peer-review - Anglais - 12 page(s)

Lindell L., de Jong M.P., Osikowicz W., Lazzaroni Roberto , Berggren M., Salaneck W.R., Crispin X., "Characterization of the Interface Dipole at the Paraphenylenediamine-nickel Interface: A Joint Theoretical and Experimental Study" in Journal of Chemical Physics, 122, 8, 084712-084723

  • Edition : American Institute of Physics, New York (NY)
  • Codes CREF : Chimie quantique (DI1321), Optique (DI1250)
  • Unités de recherche UMONS : Chimie des matériaux nouveaux (S817)
  • Instituts UMONS : Institut de Recherche en Science et Ingénierie des Matériaux (Matériaux)
Texte intégral :

Abstract(s) :

(Anglais) In organic-based (opto)electronic devices, charge injection into conjugated materials is governed to a large extent by the metal-organic interface dipole. Controlling the injection of charges requires a better understanding of the fundamental origin of the interface dipole. In this context, photoelectron spectroscopies and density functional theory calculations are used to investigate the interaction between para-phenylenediamine (PPDA), an electron donor, and a polycrystalline nickel surface. The interface dipole formed upon chemisorption of one PPDA monolayer strongly modifies the work function of the nickel surface from 5.10 to 3.55 eV. The work function decrease of 1.55 eV is explained by the electron-donor character of PPDA and the modification of the electronic density at the metal surface. PPDA monolayers are composed of tilted molecules interacting via the nitrogen lone-pair and PPDA molecules chemisorbed parallel to the surface via their p-electron density. Annealing the monolayer leads to dehydrogenation of PPDA activated by the nickel surface, as found for other amines.

Notes :
  • (Anglais) Publié en ligne le 18 février 2005
Identifiants :
  • DOI : 10.1063/1.1851507