Chemical Structure and Orientation of Ethylene on Si(114)-(2x1)/c(2x2)

Abstract

The basic chemical structure and orientation of ethylene chemisorbed on Si(114)-(2 1) at submonolayer coverage is characterized in ultrahigh vacuum using transmission Fourier transform infrared (FTIR) spectroscopy. The spectra are consistent with di-sigma bonding of ethylene to the surface with a preferential molecular orientation over macroscopic lengths. These results are supported by density functional theory (DFT) calculations of vibrational frequencies for optimized ethylene-Si(114) structures occupying the dimer and rebonded atom surface sites. A detailed analysis of the strong angular and polarization dependence of the C-H stretching mode intensities is also consistent with the adsorption structures identified by DFT, indicating that ethylene chemisorbs with the C-C bond axis parallel to the structural rows oriented along the [1h10] direction on the Si(114)-(2 1) surface. The results indicate that the unique structure of this surface makes it an excellent template for elucidating relationships between surface structure and organic reaction mechanisms on silicon.

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Document Details

Document Type
Technical Report
Publication Date
Jan 23, 2006
Accession Number
ADA482471

Entities

People

  • A. R. Laracuente
  • D. E. Barlow
  • J. N. Russel Jr.
  • Lloyd J. Whitman
  • S. C. Erwin

Organizations

  • United States Naval Research Laboratory

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Adsorption
  • Alkenes
  • Auger Electron Spectroscopy
  • Auger Electrons
  • Chemical Compounds
  • Chemistry
  • Density Functional Theory
  • Detectors
  • Dipole Moments
  • Electron Spectroscopy
  • Energy
  • Ethylenes
  • Frequency
  • Orientation (Direction)
  • Physical Chemistry
  • Spectra
  • Spectroscopy

Readers

  • Electromagnetic Wave Scattering and Antenna Radiation Engineering
  • Quantum Chemistry
  • Thin Film Deposition Science.