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Molecular Modelling and Synthesis of Nanomaterials

Applications in Carbon- and Boron-based Nanotechnology

  • Book
  • © 2020

Overview

Authors:
  1. Ihsan Boustani

    1. Faculty of Mathematics and Natural Science, University of Wuppertal, Wuppertal, Germany

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  • Explores the interplay between theoretical prediction and experimental discovery
  • Rich in useful figures and references
  • Discusses the historical evolution of the role of theory in materials science

Part of the book series: Springer Series in Materials Science (SSMATERIALS, volume 290)

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Table of contents (10 chapters)

  1. Front Matter

    Pages i-xiii
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  2. Molecular Modelling

    1. Front Matter

      Pages 1-1
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    2. Molecular Modelling

      • Ihsan Boustani
      Pages 3-48

  3. Magic Numbers and Clusters

    1. Front Matter

      Pages 49-49
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    2. Magic Numbers

      • Ihsan Boustani
      Pages 51-68

    3. Alkali Metal Clusters

      • Ihsan Boustani
      Pages 69-111

    4. Boron Clusters

      • Ihsan Boustani
      Pages 113-254

    5. Carbon and Inorganic Binary Clusters

      • Ihsan Boustani
      Pages 255-281

  4. Modelling of Nanostructures

    1. Front Matter

      Pages 283-283
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    2. Two-Dimensional Sheets

      • Ihsan Boustani
      Pages 285-362

    3. One-Dimensional Nanotubes

      • Ihsan Boustani
      Pages 363-413

    4. Three-Dimensional Polyhedra

      • Ihsan Boustani
      Pages 415-501

  5. Potential Application in Nanotechnology

    1. Front Matter

      Pages 503-503
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    2. Nanocoating and Nanobattery

      • Ihsan Boustani
      Pages 505-553

    3. Nanosensors and Fullerens

      • Ihsan Boustani
      Pages 555-589

  6. Back Matter

    Pages 591-594
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Keywords

About this book

This book presents nanomaterials as predicted by computational modelling and numerical simulation tools, and confirmed by modern experimental techniques. It begins by summarizing basic theoretical methods, then giving both a theoretical and experimental treatment of how alkali metal clusters develop into nanostructures, as influenced by the cluster's "magic number" of atoms. The book continues with a discussion of atomic clusters and nanostructures, focusing primarily on boron and carbon, exploring, in detail, the one-, two-, and three-dimensional structures of boron and carbon, and describing their myriad potential applications in nanotechnology, from nanocoating and nanosensing to nanobatteries with high borophene capacity. The broad discussion of computational modelling as well as the specific applications to boron and carbon, make this book an essential reference resource for materials scientists in this field of research.

Authors and Affiliations

  • Faculty of Mathematics and Natural Science, University of Wuppertal, Wuppertal, Germany

    Ihsan Boustani

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