Electrostatic-field-driven alignment of organic oligomers on ZnO surfaces.
Phys Rev Lett
; 107(14): 146401, 2011 Sep 30.
Article
en En
| MEDLINE
| ID: mdl-22107217
We study the physisorption of organic oligomers on the strongly ionic ZnO(1010) surface by using first-principles density-functional theory and nonempirical embedding methods. It turns out that the in-plane variation of the molecule-substrate interaction energy and the bonding dipole in the vertical direction are linked up by a linear relationship originating from the electrostatic coupling of the molecule with the periodic dipolar electric field generated by the Zn-O surface dimers. Long oligomers with a highly axial π-electron system such as sexiphenyl become well oriented with alignment energies of several 100 meV along rows of a positive electric field, in full agreement with recent experiments. These findings define a new route towards the realization of highly ordered self-assembled arrays of oligomers or polymers on ZnO(1010) and similar surfaces.
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01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Phys Rev Lett
Año:
2011
Tipo del documento:
Article
País de afiliación:
Italia
Pais de publicación:
Estados Unidos