Molecular Modelling and Synthesis of Nanomaterials

Applications in Carbon- and Boron-based Nanotechnology
1. Auflage 2020
ISBN: 978-3-030-32725-5
Verlag: Springer International Publishing

Buch, Englisch, Band 290, 594 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 1068 g

Reihe: Springer Series in Materials Science

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.

Zielgruppe

Research

Autoren/Hrsg.

Boustani, Ihsan

Fachgebiete

• Technische Wissenschaften Technik Allgemein Nanotechnologie
• Naturwissenschaften Chemie Physikalische Chemie Molekulare Chemische Nanostrukturen
• Technische Wissenschaften Maschinenbau | Werkstoffkunde Technische Mechanik | Werkstoffkunde Materialwissenschaft: Biomaterialien, Nanomaterialien, Kohlenstoff

Inhaltsverzeichnis

Foreword.- Preface.- Part I Molecular Modelling & Magic Clusters.- 1 Molecular Modelling.- 2 Magic Numbers & Clusters.- 3 Alkali Metal Clusters.- Part II The p-Block Non-Metal Clusters.- 4 The Element Boron.- 5 The Element Carbon.- Part III Modelling of Nanostructures.- 6 Two-Dimensional Sheets.- 7 One-Dimensional Nanotubes.- 8 Three-Dimensional Fullerenes.- Part IV Potential Application in Nanotechnology.- 9 Nano Battery.- 10 Nanosensors and Fullerenes.- 11 Semi-Emperical Methods.- Index.