By R.A. Evarestov

ISBN-10: 3662445808

ISBN-13: 9783662445808

ISBN-10: 3662521202

ISBN-13: 9783662521205

This ebook bargains with the theoretical and computational simulation of monoperiodic nanostructures for various periods of inorganic ingredients. those simulations are regarding their synthesis and experimental experiences. A theoretical formalism is built to explain 1D nanostructures with symmetric shapes and morphologies. 3 forms of versions are thought of for this objective: (i) nanotubes (rolled from 2nd nanolayers and defined in the formalism of line symmetry groups); (ii) nanoribbons (obtained from 2nd nanolayers through their slicing alongside the selected path of translation); (iii) nanowires (obtained from 3D lattice via its sectioning alongside the crystalline planes parallel to the selected course of translation). Quantum chemistry ab-initio equipment utilized for LCAO calculations on digital and vibrational homes of 1D nanostructures are completely defined. knowing of theoretical points awarded right here enlarges the chances for synthesis of monoperiodic nanostructures with predictable morphology and higher interpretation in their properties.

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Theoretical Modeling of Inorganic Nanostructures: Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires (NanoScience and Technology) by R.A. Evarestov


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