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

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 fin...

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Published inPhysical chemistry chemical physics : PCCP Vol. 18; no. 39; pp. 27290 - 27299
Main Authors O'Donnell, K M, Hedgeland, H, Moore, G, Suleman, A, Siegl, M, Thomsen, L, Warschkow, O, Schofield, S R
Format Journal Article
LanguageEnglish
Published England 05.10.2016
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Summary: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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ISSN:1463-9076
1463-9084
DOI:10.1039/c6cp04328c