Please use this identifier to cite or link to this item: http://scholarbank.nus.edu.sg/handle/10635/93056
Title: Adsorption of phenylacetylene on Si(100)-2×1: Reaction mechanism and formation of a styrene-like π-conjugation system
Authors: Tao, F.
Qiao, M.H.
Li, Z.H.
Yang, L.
Dai, Y.J.
Huang, H.G.
Xu, G.Q. 
Issue Date: Mar-2003
Citation: Tao, F.,Qiao, M.H.,Li, Z.H.,Yang, L.,Dai, Y.J.,Huang, H.G.,Xu, G.Q. (2003-03). Adsorption of phenylacetylene on Si(100)-2×1: Reaction mechanism and formation of a styrene-like π-conjugation system. Physical Review B - Condensed Matter and Materials Physics 67 (11) : 1153341-1153347. ScholarBank@NUS Repository.
Abstract: The interactions of phentylacetylene and phenylacetylene-α-d1 with Si(100)-2×1 have been studied as a model system to mechanistically understand the adsorption of conjugated π-electron aromatic substitutions on Si(100)-2×1. Vibrational signatures show that phenylacetylene covalently binds to the surface through a [2 +2]-like cycloaddition pathway between the external CCC and Si=Si dimer, forming styrene-like conjugation structure which was further supported by the chemical-shift of C 1s core level. These experimental results are consistent with the density-functional theory [B3LYP/6-311//+G(d)] calculations. The resulting styrene-like conjugation structures may possibly be employed as an intermediate for further organic syntheses and fabrication of molecular architecture for modification and functionalization of Si surfaces, or as a monomer for polymerization on Si surfaces.
Source Title: Physical Review B - Condensed Matter and Materials Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/93056
ISSN: 01631829
Appears in Collections:Staff Publications

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