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Scanning Tunneling Microscopy of Ethylated Si(111) Surfaces Prepared by a Chlorination/Alkylation Process

Yu, Hongbin and Webb, Lauren J. and Solares, Santiago D. and Cao, Peigen and Goddard, William A., III and Heath, James R. and Lewis, Nathan S. (2006) Scanning Tunneling Microscopy of Ethylated Si(111) Surfaces Prepared by a Chlorination/Alkylation Process. Journal of Physical Chemistry B, 110 (47). pp. 23898-23903. ISSN 1520-6106.

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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 PCl_5 to form a Cl-terminated Si(111) surface with subsequent exposure to C_2H_5MgCl 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.

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URLURL TypeDescription
Goddard, William A., III0000-0003-0097-5716
Heath, James R.0000-0001-5356-4385
Lewis, Nathan S.0000-0001-5245-0538
Additional Information:© 2006 American Chemical Society. Received 12 June 2006. Published online 9 November 2006. Published in print 1 November 2006. The authors acknowledge the National Science Foundation, Grants CHE-0604894 (N.S.L.) and NSF-CCF-05204490, the MARCO Materials Structures and Devices Focus Center (J.R.H. and W.A.G), and the Department of Energy for support of this research. L.J.W. thanks the NSF for a graduate fellowship.
Funding AgencyGrant Number
Microelectronics Advanced Research Corporation (MARCO)UNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
NSF Graduate Research FellowshipUNSPECIFIED
Issue or Number:47
Record Number:CaltechAUTHORS:20170609-082013306
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Official Citation: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 III, James R. Heath, and Nathan S. Lewis The Journal of Physical Chemistry B 2006 110 (47), 23898-23903 DOI: 10.1021/jp063655g
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:78045
Deposited By: Ruth Sustaita
Deposited On:09 Jun 2017 16:23
Last Modified:03 Oct 2019 18:04

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