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Title Computer-based modeling of novel carbon systems and their properties : beyond nanotubes / Luciano Colombo, Anna Lisa Fasolino, editors
Published Dordrecht ; London : Springer, ©2010

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Description 1 online resource (vii, 249 pages) : illustrations (some color)
Series Carbon materials. Chemistry and physics, 1875-0737 ; vol. 3
Carbon materials: chemistry and physics ; v. 3
Contents Hexagon Preserving Carbon Nanofoams -- Exotic Carbon Phases: Structure and Properties -- Mechanical and Superconducing Properties of Clathrates -- Simulations of the Structure and Chemical Properties of Nanoporous Carbon -- Structure, Stability and Electronic Properties of Nanodiamonds -- Liquid Carbon: Freezing Line and Structure Near Freezing -- Amorphous Carbon and Related Materials
Summary During the last twenty years, the multiplicity of potential carbon structures has consistently posed a formidable challenge to theoretical and computational physicists. Several different methods are currently being used to study the structure and the properties of such systems. These methods include simulations based on empirical potentials, tight-binding calculations and density functional theory (DFT). A combination of these methods is needed to make significant progress in the carbon field. This volume provides the reader with a survey of state-of-the-art theoretical and computational contributions featuring novel carbon systems (excluding nanotubes). The chapters are authored by leading researchers who are all actively involved with different aspects of carbon structure and property elucidation. Consequently, a variety of methods are presented to the reader. The editors have successfully compiled an informative book that: showcases the latest results in carbon materials demonstrates how different theoretical methods are combined explains how new carbon structures are predicted Computer-Based Modeling of Novel Carbon Systems and Their Properties is aimed at advanced undergraduates, graduates, and researchers with an interest in computational nanomaterials
Bibliography Includes bibliographical references and index
Notes English
Print version record
In Springer eBooks
Subject Carbon -- Structure -- Computer simulation
Carbon -- Isotopes -- Structure
SCIENCE -- Chemistry -- Inorganic.
Chimie.
Science des matériaux.
Chemistry.
Materials.
Nanotechnology.
Form Electronic book
Author Colombo, Luciano.
Fasolino, Annalisa.
LC no. 2010929765
ISBN 9781402097188
1402097182