Theoretical Modeling of Inorganic Nanostructures

Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires

By:

R. A E?varestov

Format:

Paperback / softback

Series:

NanoScience and Technology

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Description

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.

Release date Australia

October 6th, 2016

Author

R. A E?varestov

Audience

Professional & Vocational

Edition

Softcover reprint of the original 1st ed. 2015

Illustrations

123 Illustrations, color; 219 Illustrations, black and white; XIV, 672 p. 342 illus., 123 illus. in color.

Pages

672

Series

NanoScience and Technology

Dimensions

155x235x35

ISBN-13

9783662521205

Product ID

26187493

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