Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.susc.2006.12.070
Title: Adsorption of nitrogen-containing aromatic molecules on Si(1 1 1)-7 × 7
Authors: Huang, H.G.
Huang, J.Y.
Wang, Z.H.
Ning, Y.S.
Tao, F.
Zhang, Y.P. 
Cai, Y.H.
Tang, H.H.
Xu, G.Q. 
Keywords: Density functional theory (DFT)
Electron energy loss spectroscopy (EELS)
Photoelectron spectroscopy
Pyrimidine
Silicon
Triazine
Issue Date: 1-Mar-2007
Citation: Huang, H.G., Huang, J.Y., Wang, Z.H., Ning, Y.S., Tao, F., Zhang, Y.P., Cai, Y.H., Tang, H.H., Xu, G.Q. (2007-03-01). Adsorption of nitrogen-containing aromatic molecules on Si(1 1 1)-7 × 7. Surface Science 601 (5) : 1184-1192. ScholarBank@NUS Repository. https://doi.org/10.1016/j.susc.2006.12.070
Abstract: The adsorption configurations of pyrimidine and triazine on Si(1 1 1)-7 × 7 were investigated using high-resolution electron energy loss spectroscopy (HREELS) X-ray photoelectron spectroscopy and density functional theory calculations. The HREELS spectra of chemisorbed monolayer show the coexistence of the C(sp2)-H and C (sp3)-H stretching modes together with the observation of the unconjugated C{double bond, long}N(C) vibrational feature suggesting that the carbon atom and its para-nitrogen atom of pyrimidine and triazine directly participate in binding with the surface to form Si-C and Si-N σ-linkages. The core levels of the C-atom and its opposite nitrogen atom directly binding with Si-atoms experience a down-shifting by 1.8-1.9 and 1.4-1.6 eV, respectively. These experimental findings are consistent with the density functional theory calculations indicating that the carbon atom and its para-nitrogen atom favorably link with the adjacent adatom and rest atom pair to form C-Si and N-Si linkages. © 2006 Elsevier B.V. All rights reserved.
Source Title: Surface Science
URI: http://scholarbank.nus.edu.sg/handle/10635/93054
ISSN: 00396028
DOI: 10.1016/j.susc.2006.12.070
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