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The European Physical Journal Special Topics

, Volume 167, Issue 1, pp 33–39 | Cite as

Atomic-scale X-ray structural analysis of self-assembled monolayers on Silicon

  • J.-C. Lin
  • J. A. Kellar
  • J.-H. Kim
  • N. L. Yoder
  • K. H. Bevan
  • S. T. Nguyen
  • M. C. Hersam
  • M. J. BedzykEmail author
Regular Article

Abstract

Two related self-assembled monolayers (SAMs), 4-bromostyrene (BrSty) and 4-bromophenylacetylene (BPA), are photochemically grown from solution on to the monohydride-terminated Si(111) surface. The atomic-scale structures of the resulting SAMs are examined by X-ray standing waves (XSW), X-ray reflectivity (XRR), X-ray fluorescence, atomic-force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT). The coverage is 0.5 ML. The results show that in each case the molecule covalently bonds to a single Si T1 site and stands up-right with a slight molecular tilt of 17 that leaves the Br terminal end over a neighboring T4 site. The Br height is 8.5 Å (BrSty) and 8.6 Å (BPA) above the top surface Si atom. The combined XSW and XRR results rule-out two alternative bonding models predicted by DFT that have the root of the molecule bonded to two neighboring top Si surface atoms. Based on the XSW 111 and 333 coherent fractions, the BPA/Si(111) has a reduced vertical Br distribution width in comparison to BrSty. This greater rigidity in the molecular structure is correlated to a C=C bond at the root.

Keywords

Density Functional Theory European Physical Journal Special Topic Advance Photon Source Density Functional Theory Prediction Coherent Fraction 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© EDP Sciences and Springer 2009

Authors and Affiliations

  • J.-C. Lin
    • 1
  • J. A. Kellar
    • 1
  • J.-H. Kim
    • 2
  • N. L. Yoder
    • 1
  • K. H. Bevan
    • 3
  • S. T. Nguyen
    • 2
  • M. C. Hersam
    • 1
    • 2
  • M. J. Bedzyk
    • 1
    Email author
  1. 1.Northwestern UniversityEvanstonUSA
  2. 2.Northwestern UniversityEvanstonUSA
  3. 3.Purdue UniversityElectrical and Computer Engineering West LafayetteUSA

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