Computational modeling of inorganic nanomaterials
Author(s)
Bibliographic Information
Computational modeling of inorganic nanomaterials
(Series in materials science and engineering / B. Cantor, M. J. Goringe)
CRC Press, 2020, c2016
- : pbk
Available at 1 libraries
  Aomori
  Iwate
  Miyagi
  Akita
  Yamagata
  Fukushima
  Ibaraki
  Tochigi
  Gunma
  Saitama
  Chiba
  Tokyo
  Kanagawa
  Niigata
  Toyama
  Ishikawa
  Fukui
  Yamanashi
  Nagano
  Gifu
  Shizuoka
  Aichi
  Mie
  Shiga
  Kyoto
  Osaka
  Hyogo
  Nara
  Wakayama
  Tottori
  Shimane
  Okayama
  Hiroshima
  Yamaguchi
  Tokushima
  Kagawa
  Ehime
  Kochi
  Fukuoka
  Saga
  Nagasaki
  Kumamoto
  Oita
  Miyazaki
  Kagoshima
  Okinawa
  Korea
  China
  Thailand
  United Kingdom
  Germany
  Switzerland
  France
  Belgium
  Netherlands
  Sweden
  Norway
  United States of America
Note
Includes bibliographical references and index
Description and Table of Contents
Description
Computational Modeling of Inorganic Nanomaterials provides an accessible, unified introduction to a variety of methods for modeling inorganic materials as their dimensions approach the nanoscale. With contributions from a team of international experts, the book guides readers on choosing the most appropriate models and methods for studying the structure and properties (such as atomic structure, optical absorption and luminescence, and electrical and heat transport) of a varied range of inorganic nanomaterial systems.
Divided into three sections, the book first covers different types of inorganic nanosystems with increasing dimensionality. The second section explains how to computationally describe properties and phenomena associated with inorganic nanomaterials, including the modeling of melting and phase transitions, crystallization, and thermal, mechanical, optical, and excited state properties. The final section highlights a diverse range of important recent case studies of systems where modeling the properties and structures of inorganic nanomaterials is fundamental to their understanding. These case studies illustrate the use of computational techniques to model nanostructures in a range of applications and environments, from heterogeneous catalysis to astrochemistry.
Largely due to their extremely reduced dimensions, inorganic nanomaterials are difficult to characterize accurately in experiments. Computational modeling, therefore, often provides unrivaled, detailed insights to complement and guide experimental research on these small-scale materials. This book shows how computational modeling is critical for understanding inorganic nanomaterials and their future development.
Table of Contents
Structure and Dimensionality: Nanoclusters and Nanoparticles. One-Dimensional Nanosystems. Two-Dimensional Nanosystems. Nanocluster-Assembled Materials. Properties: Melting and Phase Transitions. Nanoparticles and Crystallization. Mechanical Properties of Inorganic Nanostructures. Thermal Properties of Inorganic Nanostructures. Modeling Optical and Excited-State Properties. Case Studies: Interfaces in Nanocrystalline Oxide Materials: From Powders toward Ceramics. Heterogeneous Catalysis: Vanadia-Supported Catalysts for Selective Oxidation Reactions. Metal-Supported Oxide Nanofilms. Cosmic and Atmospheric Nanosilicates. Index.
by "Nielsen BookData"