Jump to main content
Jump to site search

Issue 23, 2007
Previous Article Next Article

Gold as intermolecular glue: a theoretical study of nanostrips based on quinoline-type monomers

Author affiliations

Abstract

A family of infinite nanostrips is computationally predicted. In it monomers of single, double or triple aromatic rings are linked to each other by strong C–Au–C, C–Au ← N or N → Au ← N bonds. Depending on the geometry of the system and saturation of the bonds, these 1-D nanostrips are found to be insulators, narrow- or zero-gap semiconductors, or metals. The calculated dimerization and polymerization energies suggest clear exothermicity of formation. Varying the nitrogen content in the aromatic ring is found to little affect the geometry, and the 1-D band structure of the strips can be interpreted in a rigid-band picture. The orbital character of the states at the Fermi level has been analyzed. One of the new structures is found to be closely similar to graphene with respect to its band structure properties.

Graphical abstract: Gold as intermolecular glue: a theoretical study of nanostrips based on quinoline-type monomers

Back to tab navigation

Publication details

The article was received on 15 Mar 2007, accepted on 29 Mar 2007 and first published on 17 Apr 2007


Article type: Paper
DOI: 10.1039/B703970K
Phys. Chem. Chem. Phys., 2007,9, 3025-3030

  •   Request permissions

    Gold as intermolecular glue: a theoretical study of nanostrips based on quinoline-type monomers

    P. Pyykkö, M. O. Hakala and P. Zaleski-Ejgierd, Phys. Chem. Chem. Phys., 2007, 9, 3025
    DOI: 10.1039/B703970K

Search articles by author

Spotlight

Advertisements