Jump to main content
Jump to site search

Issue 24, 2014
Previous Article Next Article

Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh

Author affiliations

Abstract

Experiment and computer simulations were conducted in order to study the adsorption of the phthalocyanine molecules H2Pc and CuPc on the h-BN/Rh(111) nanomesh. We combine STM investigations with the exploration of the potential energy surface as resulting from density functional theory calculations. Both approaches indicate a pronounced adsorption selectivity in the so called pore regions of the h-BN nanomesh, whereas the adsorption energy landscape in the pore turns out to be very shallow. This is seen by the inability to image the molecule stably at 77 K by scanning tunneling microscopy. Understanding the nature of the binding by rationalizing the site-selectivity and the mobility of the molecules is quite a challenge for both experiment and theory. In particular, we observe that the choice of the functional in the DFT description is crucial to be able to discriminate among adsorption sites that are very close in energy and to resolve low energy barriers. Our study reveals how the shape of the corrugated h-BN layer is the dominant factor that determines the subtle features of the potential energy surface for the adsorption of phthalocyanine.

Graphical abstract: Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh

Back to tab navigation

Supplementary files

Publication details

The article was received on 04 Apr 2014, accepted on 01 May 2014 and first published on 02 May 2014


Article type: Paper
DOI: 10.1039/C4CP01466A
Author version
available:
Download author version (PDF)
Phys. Chem. Chem. Phys., 2014,16, 12374-12384
  • Open access: Creative Commons BY license
  •   Request permissions

    Site-selective adsorption of phthalocyanine on h-BN/Rh(111) nanomesh

    M. Iannuzzi, F. Tran, R. Widmer, T. Dienel, K. Radican, Y. Ding, J. Hutter and O. Gröning, Phys. Chem. Chem. Phys., 2014, 16, 12374
    DOI: 10.1039/C4CP01466A

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements