Interaction of Lewis acids with Si(100)-2×1 and Ge(100)-2×1 surfaces

Glen A. Ferguson, Ujjal Das, Krishnan Raghavachari

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

In this work we have examined the reactions of Lewis acids (MX 3, M = B, Al, or Ga and X = F, Cl, Br, or H) with the Si(100)-2×1 and Ge(100)-2×1 surfaces using Møller-Plesset second-order perturbation theory. After careful consideration of the possible surface reactions, we have determined that all metal-halide Lewis acids react via unactivated dissociative addition reactions where the metal-halide covalent bond is broken. However, two types of final products are seen that depend on the nature of the metal. In the case of aluminum and gallium halides, a weak dative bond between metal and halogen is formed, resulting in the formation of cyclic structures on the silicon and germanium surfaces. This dative bonding is absent in the case of boron, leading to open structures. Our results differ significantly from recently proposed mechanistic models and are comparable to available experimental results.

Original languageEnglish (US)
Pages (from-to)10146-10150
Number of pages5
JournalJournal of Physical Chemistry C
Volume113
Issue number23
DOIs
StatePublished - Jun 11 2009
Externally publishedYes

Fingerprint

Metal halides
Lewis Acids
metal halides
Metals
Germanium
Addition reactions
Gallium
acids
Halogens
Boron
Covalent bonds
Acids
covalent bonds
Surface reactions
Silicon
Aluminum
metals
halogens
surface reactions
halides

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Interaction of Lewis acids with Si(100)-2×1 and Ge(100)-2×1 surfaces. / Ferguson, Glen A.; Das, Ujjal; Raghavachari, Krishnan.

In: Journal of Physical Chemistry C, Vol. 113, No. 23, 11.06.2009, p. 10146-10150.

Research output: Contribution to journalArticle

Ferguson, Glen A. ; Das, Ujjal ; Raghavachari, Krishnan. / Interaction of Lewis acids with Si(100)-2×1 and Ge(100)-2×1 surfaces. In: Journal of Physical Chemistry C. 2009 ; Vol. 113, No. 23. pp. 10146-10150.
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