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Phys Chem Chem Phys. 2016 Oct 05;18(39):27290-27299. doi: 10.1039/c6cp04328c.

Orientation and stability of a bi-functional aromatic organic molecular adsorbate on silicon.

Physical chemistry chemical physics : PCCP

K M O'Donnell, H Hedgeland, G Moore, A Suleman, M Siegl, L Thomsen, O Warschkow, S R Schofield

Affiliations

  1. Department of Physics, Astronomy and Medical Radiation Science, Curtin University, Bentley, WA 6102, Australia.
  2. London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. [email protected].
  3. London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. [email protected] and Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK.
  4. Australian Synchrotron, Clayton, VIC 3168, Australia.
  5. Centre for Quantum Computation and Communication Technology, School of Physics, University of Sydney, Sydney, NSW 2006, Australia.

PMID: 27722539 DOI: 10.1039/c6cp04328c

Abstract

In this work we combine scanning tunneling microscopy, near-edge X-ray absorption fine structure spectroscopy, X-ray photoemission spectroscopy and density functional theory to resolve a long-standing confusion regarding the adsorption behaviour of benzonitrile on Si(001) at room temperature. We find that a trough-bridging structure is sufficient to explain adsorption at low coverages. At higher coverages when steric hindrance prevents the phenyl ring lying flat on the surface, the 2+2 cycloaddition structure dominates.

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