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Toward Mechanosynthesis of Diamondoid Structures: III. Quantum-Chemical Study of Silylene Molecule and Silicon Atom Transfer Mechanism from Caped SWCNT STM Tip to the Reaction Center on a Hydrogenated Si(111) Surface

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The previously published (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43–58) strategy of silicon mechanosynthesis on an hydrogenated Si(111) surface has been extended by considering the caped SWCNT STM tip as silylene molecule and silicon atom positional control device.


Document Type: Research Article

Publication date: October 1, 2009

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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