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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces

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Abstract:

A possibility to prototype the silicon-based intermediate generations of nano-devices using the STM caped SWCNT tip driven mechanosynthesis on hydrogen passivated Si(111), Si(110) and Si(100) surfaces was studied by means of the quantum-chemical molecular dynamics method. The proposed strategy is an additive positional molecular manufacturing process which uses a silicon atom (Si) and silylene molecule (SiH2 transfers from caped SWCNT tip to the reaction center on hydrogenated silicon surface to build parts of the silicon layer one at a time. Layers can be generated automatically from 3D CAD models used on the UHV STM machine, although nowadays they may also be manipulated manually. A recently published (J. Comput. Theor. Nanosci…) detailed comparison of physical and chemical properties of silicon and diamond has demonstrated that silicon can be considered as the material of choice for a preliminary implementation of intermediate generation of nano-systems. The work presented here suggests that the proposed prototyping technology can be used to manufacture production-quality parts of nano-systems in relatively small numbers.

Keywords: EXPLORATORY ENGINEERING; INTERMEDIATE GENERATION OF NANO-SYSTEMS; LOW-INDEX SILICON SURFACES; NANO-MATERIALS; PROTOTYPING AT ATOMIC SCALE; SILICON; SPM

Document Type: Research Article

DOI: https://doi.org/10.1166/jctn.2010.1620

Publication date: 2010-11-01

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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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