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Chemical and Electrical Passivation of Single-Crystal Silicon(100) Surfaces through a Two-Step Chlorination/Alkylation Process

Nemanick, E. Joseph and Hurley, Patrick T. and Webb, Lauren J. and Knapp, David W. and Michalak, David J. and Brunschwig, Bruce S. and Lewis, Nathan S. (2006) Chemical and Electrical Passivation of Single-Crystal Silicon(100) Surfaces through a Two-Step Chlorination/Alkylation Process. Journal of Physical Chemistry B, 110 (30). pp. 14770-14778. ISSN 1520-6106. doi:10.1021/jp056773x.

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Single-crystal Si(100) surfaces have been functionalized by using a two-step radical chlorination−Grignard (R= MgCl, R = CH_3, C_2H_5, C_4H_9, C_6H_5, or CH_2C_6H_5) alkylation method. After alkylation, no chlorine was detectable on the surface by X-ray photoelectron spectroscopy (XPS), and the C 1s 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, SiH_2, and SiH_3 species, whereas Cl−Si(100) surfaces were predominantly terminated by monochloro (SiCl and SiHCl) and dichloro (SiCl_2 and SiHCl_2) Si species. Methylation produced signals consistent with termination by Si−alkyl bonding arising from SiH(CH_3)-, SiH_2(CH_3)-, and Si(CH_3)_2-type species.

Item Type:Article
Related URLs:
URLURL TypeDescription
Nemanick, E. Joseph0000-0002-4650-6491
Webb, Lauren J.0000-0001-9999-5500
Michalak, David J.0000-0002-1226-608X
Brunschwig, Bruce S.0000-0002-6135-6727
Lewis, Nathan S.0000-0001-5245-0538
Additional Information:© 2006 American Chemical Society. Received 22 November 2005. Published online 12 July 2006. Published in print 1 August 2006. We gratefully acknowledge the NSF, grant CHE-021358, for support of this work. This work was carried out in part at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Division of Materials Sciences and Division of Chemical Sciences, under contract DE-AC02-98CH 10866, and the Beckman Institute Molecular Materials Research Center at the California Institute of Technology.
Funding AgencyGrant Number
Department of Energy (DOE)DE-AC02-98CH 10866
Caltech Beckman InstituteUNSPECIFIED
Issue or Number:30
Record Number:CaltechAUTHORS:20170607-135111738
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Official Citation: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, and Nathan S. Lewis The Journal of Physical Chemistry B 2006 110 (30), 14770-14778 DOI: 10.1021/jp056773x
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78008
Deposited By: Ruth Sustaita
Deposited On:07 Jun 2017 22:30
Last Modified:15 Nov 2021 17:35

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