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Issue 32, 2011
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Molecules for organic electronics studied one by one

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Abstract

The electronic and geometrical structure of single difluoro-bora-1,3,5,7-tetraphenyl-aza-dipyrromethene (aza-BODIPY) molecules adsorbed on the Au(111) surface is investigated by low temperature scanning tunneling microscopy and spectroscopy in conjunction with ab initio density functional theory simulations of the density of states and of the interaction with the substrate. Our DFT calculations indicate that the aza-BODIPY molecule forms a chemical bond with the Au(111) substrate, with distortion of the molecular geometry and significant charge transfer between the molecule and the substrate. Nevertheless, most likely due to the low corrugation of the Au(111) surface, diffusion of the molecule is observed for applied bias in excess of 1 V.

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Publication details

The article was received on 31 Mar 2011, accepted on 18 Jul 2011 and first published on 28 Jul 2011


Article type: Paper
DOI: 10.1039/C1CP20999J
Citation: Phys. Chem. Chem. Phys., 2011,13, 14421-14426
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    Molecules for organic electronics studied one by one

    J. Meyer, A. Wadewitz, Lokamani, C. Toher, R. Gresser, K. Leo, M. Riede, F. Moresco and G. Cuniberti, Phys. Chem. Chem. Phys., 2011, 13, 14421
    DOI: 10.1039/C1CP20999J

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