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

O'Donnell, Kane; Hedgeland, Holly; Moore, Gareth; Suleman, Asif; Siegl, Manuel; Thomsen, Lars; Warschkow, Oliver and Schofield, Steven (2016). Orientation and stability of a bi-functional aromatic organic molecular adsorbate on silicon. Physical Chemistry Chemical Physics, 18(39) pp. 27290–27299.

DOI: https://doi.org/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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