Chemical and electrical passivation of single-crystal silicon(100) surfaces Through a two-step chlorination/alkylation process

E. Joseph Nemanick, Patrick T. Hurley, Lauren J. Webb, David W. Knapp, David J. Michalak, Bruce S. Brunschwig, Nathan S. Lewis

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Single-crystal Si(100) surfaces have been functionalized by using a two-step radical chlorination-Grignard (R = MgCl, R = CH3, C 2H5, C4H9, C6H 5, or CH2C6H5) alkylation method. After alkylation, no chlorine was detectable on the surface by X-ray photoelectron spectroscopy (XPS), and the C 1 s region showed a silicon-induced peak shift indicative of a Si-C bond. The relative intensity of this peak decreased, as expected, as the steric bulk of the alkyl increased. Despite the lack of full alkyl termination of the atop sites of the Si(100) surface, functionalization significantly reduced the rate of surface oxidation in air compared to that of the H-terminated Si(100) surface, with alkylated surfaces forming less than half a monolayer of oxide after over one month of exposure to air. Studies of the charge-carrier lifetime with rf photoconductivity decay methods indicated a surface recombination velocity of <30 cm s-1 for methylated surfaces, and <60 cm s-1 for Si surfaces functionalized with the other alkyl groups evaluated. Soft X-ray photoelectron spectroscopic data indicated that the H-Si(100) surfaces were terminated by SiH, SiH2, and SiH3 species, whereas Cl-Si(100) surfaces were predominantly terminated by monochloro (SiCl and SiHCl) and dichloro (SiCl 2 and SiHCl2) Si species. Methylation produced signals consistent with termination by Si-alkyl bonding arising from SiH-(CH 3)-, SiH2(CH3)-, and Si(CH3) 2-type species.

Original languageEnglish
Pages (from-to)14770-14778
Number of pages9
JournalJournal of Physical Chemistry B
Issue number30
Publication statusPublished - Aug 3 2006


ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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