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Toward Mechanosynthesis of Diamondoid Structures: VIII. Quantum-Chemical Molecular Dynamics Simulations of Hexagonal Silicon-IV Structure Synthesis with STM

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Abstract:

As originally pointed out by Drexler, members of the broad class of diamondoids can differ from diamond both in respect to bonding pattern and elemental composition. In this paper the strategy of positional mechanosynthesis of hexagonal silicon-IV structures is studied by quantum-chemical molecular dynamics simulations. The estimated mechanosynthesis conditions together with the general knowledge of silicon chemistry suggest that the hexagonal polytype Si-IV, also termed as lonsdaleite Si, is probably readily accessible by UHV-SPM tip driven mechanosynthesis.

Keywords: EXPLORATORY ENGINEERING; HEXAGONAL SILICON; HYDROGEN PASSIVATED SILICON SURFACES; INTERMEDIATE GENERATION OF NANO-SYSTEMS; LONSDALEITE SILICON; POSITIONAL MECHANOSYNTHESIS; SILICON; SILICON-IV; UHV-SPM; WURTZITE SILICON

Document Type: Research Article

DOI: http://dx.doi.org/10.1166/jctn.2011.1913

Publication date: October 1, 2011

More about this publication?
  • 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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