title: Orientation and stability of a bi-functional aromatic organic molecular adsorbate on silicon.
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.
authors.affiliation: Department of Physics, Astronomy and Medical Radiation Science, Curtin University, Bentley, WA 6102, Australia.
authors.forename: K M
authors.initials: KM
authors.lastname: O'Donnell
authors.affiliation: London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. s.schofield@ucl.ac.uk.
authors.forename: H
authors.initials: H
authors.lastname: Hedgeland
authors.affiliation: London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. s.schofield@ucl.ac.uk and Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK.
authors.forename: G
authors.initials: G
authors.lastname: Moore
authors.affiliation: London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. s.schofield@ucl.ac.uk and Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK.
authors.forename: A
authors.initials: A
authors.lastname: Suleman
authors.affiliation: London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. s.schofield@ucl.ac.uk and Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK.
authors.forename: M
authors.initials: M
authors.lastname: Siegl
authors.affiliation: Australian Synchrotron, Clayton, VIC 3168, Australia.
authors.forename: L
authors.initials: L
authors.lastname: Thomsen
authors.affiliation: Centre for Quantum Computation and Communication Technology, School of Physics, University of Sydney, Sydney, NSW 2006, Australia.
authors.forename: O
authors.initials: O
authors.lastname: Warschkow
authors.affiliation: London Centre for Nanotechnology, University College London, London, WC1H 0AH, UK. s.schofield@ucl.ac.uk and Department of Physics and Astronomy, University College London, London, WC1E 6BT, UK.
authors.forename: S R
authors.identifier: http://orcid.org/0000-0002-0727-3015
authors.initials: SR
authors.lastname: Schofield