Scanning tunneling microscopy of ethylated Si(111) surfaces prepared by a chlorination/alkylation process

Hongbin Yu, Lauren J. Webb, Santiago D. Solares, Peigen Cao, William A. Goddard, James R. Heath, Nathan S. Lewis

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Scanning tunneling microscopy (STM) and computational modeling have been used to study the structure of ethyl-terminated Si(111) surfaces. The ethyl-terminated surface was prepared by treating the H-terminated Si(111) surface with PCl5 to form a Cl-terminated Si(111) surface with subsequent exposure to C2H5MgCl in tetrahydrofuran to produce an alkylated Si(111) surface. The STM data at 77 K revealed local, close-packed, and relatively ordered regions with a nearest-neighbor spacing of 0.38 nm as well as disordered regions. The average spot density corresponded to ≈85% of the density of Si atop sites on an unreconstructed Si(111) surface. Molecular dynamics simulations of a Si(111) surface randomly populated with ethyl groups to a total coverage of ≈80% confirmed that the ethyl-terminated Si(111) surface, in theory, can assume reasonable packing arrangements to accommodate such a high surface coverage, which could be produced by an exoergic surface functionalization route such as the two-step chlorination/alkylation process. Hence, it is possible to consistently interpret the STM data within a model suggested by recent X-ray photoelectron spectroscopic data and infrared absorption data, which indicate that the two-step halogenation/alkylation method can provide a relatively high coverage of ethyl groups on Si(111) surfaces.

Original languageEnglish (US)
Pages (from-to)23898-23903
Number of pages6
JournalJournal of Physical Chemistry B
Volume110
Issue number47
DOIs
StatePublished - Nov 30 2006
Externally publishedYes

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chlorination
Chlorination
alkylation
Alkylation
Scanning tunneling microscopy
scanning tunneling microscopy
Halogenation
halogenation
Infrared absorption
tetrahydrofuran
Photoelectrons
infrared absorption
Molecular dynamics
photoelectrons
routes
spacing
molecular dynamics

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Yu, H., Webb, L. J., Solares, S. D., Cao, P., Goddard, W. A., Heath, J. R., & Lewis, N. S. (2006). Scanning tunneling microscopy of ethylated Si(111) surfaces prepared by a chlorination/alkylation process. Journal of Physical Chemistry B, 110(47), 23898-23903. https://doi.org/10.1021/jp063655g

Scanning tunneling microscopy of ethylated Si(111) surfaces prepared by a chlorination/alkylation process. / Yu, Hongbin; Webb, Lauren J.; Solares, Santiago D.; Cao, Peigen; Goddard, William A.; Heath, James R.; Lewis, Nathan S.

In: Journal of Physical Chemistry B, Vol. 110, No. 47, 30.11.2006, p. 23898-23903.

Research output: Contribution to journalArticle

Yu, Hongbin ; Webb, Lauren J. ; Solares, Santiago D. ; Cao, Peigen ; Goddard, William A. ; Heath, James R. ; Lewis, Nathan S. / Scanning tunneling microscopy of ethylated Si(111) surfaces prepared by a chlorination/alkylation process. In: Journal of Physical Chemistry B. 2006 ; Vol. 110, No. 47. pp. 23898-23903.
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