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Nano-scale studies of the assembly, structure and properties of hybrid organic-silicon systems Open Access


Other title
molecular scale devices
molecular lines
surface diffusion
Type of item
Degree grantor
University of Alberta
Author or creator
Sinha, Shoma
Supervisor and department
Wolkow, Robert A. (Chemistry, Physics)
Examining committee member and department
McBreen, Peter (Chemistry)
Hegmann, Frank (Physics)
McDermott, Mark (Chemistry)
Veinot, Jonathan (Chemistry)
Wolkow, Robert A. (Chemistry, Physics)
Brown, Alexander (Chemistry)
Department of Chemistry

Date accepted
Graduation date
Doctor of Philosophy
Degree level
Advancements in the field of electronics might be achieved by future molecular scale devices. Hybrid organic-silicon structures have the potential to overcome many challenges facing the use of molecules as devices while maintaining the ability to interface with traditional silicon technology. The objective of this dissertation was to advance our base knowledge of the interactions, behaviour and properties of simple molecular systems and the Si(100):2x1 surface. Experimental studies conducted with scanning tunneling microscopy (STM) and complemented with theoretical investigations, primarily density functional theory (DFT), were utilized to investigate three principle areas of interest: (1) the transport behaviour of monolayers, patterned regions, or nanostructures, (2) surface diffusion and (3) properties of self-assembled molecular lines. The tunneling current versus applied bias behaviour of the clean, the monohydride and the styrene passivated Si(100):2x1 surfaces were studied. An energy band model was formed that incorporates surface dipole characteristics and band bending to describe transport. The transport behaviour from patterns of clean, styrene covered, and 4-fluorostyrene covered Si(100):2x1 on otherwise monohydride terminated Si(100):2x1 were subsequently studied. Comparison with the observations from the full monolayers provided evidence for conduction through surface states. Studies of the transport behaviour from styrene molecular lines were also performed. Surface diffusion is an important aspect of self-assembly. A novel experimental method for studying aspects of diffusion that removes STM tip effects was developed and used to study the diffusion anisotropy of styrene and 4-fluorostyrene on H-Si(100):2x1. These studies were complemented with DFT energy calculations and Monte Carlo methods to incorporate dynamic effects. Various studies were conducted on self-assembled molecular lines. In addition to studying the electron-transport of styrene lines mentioned above, the transport of lines terminated on one end by a silver island was explored. The effect of line growth due to surface exposure to 1,4-cyclohexadiene was considered. Finally, a study of ordering phenomena of molecules within molecular lines was conducted. Lines composed of 1-vinylnaphthalene were particularly interesting. They demonstrated the ability to form lines with double the normal periodicity but which can transform into normal lines. Using theoretical calculations, a T-like model was proposed.
Permission is hereby granted to the University of Alberta Libraries to reproduce single copies of this thesis and to lend or sell such copies for private, scholarly or scientific research purposes only. Where the thesis is converted to, or otherwise made available in digital form, the University of Alberta will advise potential users of the thesis of these terms. The author reserves all other publication and other rights in association with the copyright in the thesis and, except as herein before provided, neither the thesis nor any substantial portion thereof may be printed or otherwise reproduced in any material form whatsoever without the author's prior written permission.
Citation for previous publication
Wolkow, Robert A. (Chemistry, Physics); Brown, Alexander (Chemistry); Veinot, Jonathan (Chemistry); McDermott, Mark (Chemistry); Hegmann, Frank (Physics); McBreen, Peter (Chemistry)S. Sinha, A.J. Dickie, and R.A.Wolkow. Tuning tunneling current recti cation with chemical modi cation of silicon (100) surfaces. Chemical Physics Letters, 469(4-6):279-283, 2009. ElsevierS. Sinha, GA DiLabio, and RA Wolkow. Experimental and Theoretical Exploration of the Anisotropy of Styrene Di ffusion on Hydrogen Terminated Si (100)-2x1. The Journal of Physical Chemistry C, 114(16):7364-7371, 2010. American Chemical Society.

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