Molecular Modelling and Synthesis of Nanomaterials
Applications in Carbon- and Boron-based Nanotechnology
1st Edition
Published on 14. July 2020
XIII, 594 pages
978-3-030-32726-2 (ISBN)
Description
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.
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Ihsan Boustani
Molecular Modelling and Synthesis of Nanomaterials
Applications in Carbon- and Boron-based Nanotechnology
Book
07/2020
Springer
€160.49
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Content
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.
