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Theoretical Modeling of Inorganic Nanostructures - Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires (Paperback, Softcover reprint of the original 1st ed. 2015)
Loot Price: R5,448
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Theoretical Modeling of Inorganic Nanostructures - Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires (Paperback, Softcover reprint of the original 1st ed. 2015)
Series: NanoScience and Technology
Expected to ship within 10 - 15 working days
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This book deals with the theoretical and computational simulation
of monoperiodic nanostructures for different classes of inorganic
substances. These simulations are related to their synthesis and
experimental studies. A theoretical formalism is developed to
describe 1D nanostructures with symmetric shapes and morphologies.
Three types of models are considered for this aim: (i) nanotubes
(rolled from 2D nanolayers and described within the formalism of
line symmetry groups); (ii) nanoribbons (obtained from 2D
nanolayers by their cutting along the chosen direction of
translation); (iii) nanowires (obtained from 3D lattice by its
sectioning along the crystalline planes parallel to the chosen
direction of translation). Quantum chemistry ab-initio methods
applied for LCAO calculations on electronic and vibrational
properties of 1D nanostructures are thoroughly described.
Understanding of theoretical aspects presented here enlarges the
possibilities for synthesis of monoperiodic nanostructures with
predictable morphology and better interpretation of their
properties.
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