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Stability of Silicon Nanostructures

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Growth Mechanisms and Novel Properties of Silicon Nanostructures from Quantum-Mechanical Calculations

Part of the book series: SpringerBriefs in Molecular Science ((BRIEFSMOLECULAR))

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Abstract

Unsaturated silicon nanostructures are naturally unstable and can easily develop into structures of a variety of possible morphologies with coordination largely deviated from four of bulk materials. As such, numerous possible pristine silicon nanostructures including nanospheres and nanowires have been proposed in the literature, including the thinnest silicon nanowire proposed by us. Tubular silicon nanostructures are difficult to form, as revealed by comparing their electronic structure characteristics with those in bulk-like configuration and also their carbon counterparts. There can be some local minima for the tubular structures and one of a gear-like configuration is achievable at an extremely low temperature. Surface saturation of silicon nanostructures is extremely important to achieve the structural stability and delocalized electronic structures at the band edges. The surface saturation can be achieved by hydrogenation using HF-etching, which is possible due to the polarization of the Si–Si backbone if F-terminated at the surface. Hydrogen-terminated silicon nanoparticles are thermally very stable if the hydrogen coverage is more than 50 %. Hydrogenated silicon nanostructures can offer much improved chemical stability over wet oxidation over the hydrogenated bulk surface, due to the size-dependent oxidation, and thus can be used to fabricate highly stable nanodevices.

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  1. Department of Physics and Material Science, City University of Hong Kong, Hong Kong SAR, People’s Republic of China

    Rui-Qin Zhang

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Zhang, RQ. (2014). Stability of Silicon Nanostructures. In: Growth Mechanisms and Novel Properties of Silicon Nanostructures from Quantum-Mechanical Calculations. SpringerBriefs in Molecular Science. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-40905-9_3

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