Theoretical Modeling of Inorganic Nanostructures | Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires

R. A. Evarestov

ISBN 10: 3662521202 / ISBN 13: 9783662521205

Published by Springer, 2016

About this Item

Theoretical Modeling of Inorganic Nanostructures | Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires | R. A. Evarestov | Taschenbuch | xiv | Englisch | 2016 | Springer | EAN 9783662521205 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Seller Inventory # 102876704

Bibliographic Details

• Title: Theoretical Modeling of Inorganic Nanostructures | Symmetry and ab-initio Calculations of Nanolayers, Nanotubes and Nanowires
• Publisher: Springer
• Publication Date: 2016
• Language: English
• ISBN 10: 3662521202
• ISBN 13: 9783662521205
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 238W x 156H x 33D millimeters 238 millimeters width by 156 millimeters height by 33 millimeters depth
• Weight: 1078 grams
• Seller catalogs:
  • Bücher

About this title

Synopsis

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.