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|Title:||Selective attachment of benzaldehyde on Si (100) -2×1: Structure, selectivity, and mechanism||Authors:||Huang, H.G.
|Issue Date:||8-Sep-2005||Citation:||Huang, H.G., Zhang, Y.P., Cai, Y.H., Huang, J.Y., Yong, K.S., Xu, G.Q. (2005-09-08). Selective attachment of benzaldehyde on Si (100) -2×1: Structure, selectivity, and mechanism. Journal of Chemical Physics 123 (10) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.2035095||Abstract:||The interaction of benzaldehyde with the Si(100) surface has been investigated as a model system for understanding the interaction of conjugated π -electron systems with semiconductor surfaces. Vibrational features of chemisorbed benzaldehyde unambiguously demonstrate that the carbonyl group directly interacts with the Si surface dangling bonds, evidenced in the disappearance of the C=O stretching mode around 1713 cm-1 coupled with the retention of all vibrational signatures of its phenyl ring. X-ray photoemission spectroscopy shows that both C 1s and O 1s binding energies of the carbonyl group display large downshifts by 1.9 and 1.3 eV, respectively. Vibrational and electronic results show that the covalent attachment of benzaldehyde on Si(100) occurs in a highly selective manner through the direct interaction of both C and O atoms of the carbonyl group with a Si=Si dimer to form a four-membered Si-C-O-Si ring at the interface, leaving a nearly unperturbed phenyl ring protruding into vacuum. This conclusion is further confirmed by the observation of a predominant protrusion for benzaldehyde adsorbed on Si (100) -2×1 in scanning tunneling microscopy experiments, consistent with the predication of density-functional theory calculation. © 2005 American Institute of Physics.||Source Title:||Journal of Chemical Physics||URI:||http://scholarbank.nus.edu.sg/handle/10635/76928||ISSN:||00219606||DOI:||10.1063/1.2035095|
|Appears in Collections:||Staff Publications|
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