Series in Materials Science and Engineering. Computational modeling of inorganic nanomaterials / Bromley, Stefan T.

Public ISBD Titre de série : Series in Materials Science and Engineering Titre : Computational modeling of inorganic nanomaterials Type de document : texte imprimé Auteurs : Bromley, Stefan T., Éditeur scientifique ; Zwijnenburg, Martijn A., Éditeur scientifique Editeur : CRC Press Année de publication : 2016 Importance : xiv, 423 p. ISBN/ISSN/EAN : 978-1-4665-7641-4 Note générale : Features : Presents an introduction to key computational modeling methodologies with pointers to more detailed literature where necessary Provides a guide to the most appropriate choices of models and methods for describing particular classes of inorganic nanosystems and their structural/chemical/physical properties Includes examples drawn from state-of-the-art research, giving readers practical guidance on new modeling investigations Discusses the strengths and limitations of various approaches to modeling inorganic nanomaterials as well as current challenges in the field. Langues : Anglais (eng) Catégories : Matériaux Tags : NANOCHEMISTRY  NANOSTRUCTURED MATERIALS  INORGANIC CHEMISTRY  COMPUTATIONAL CHEMISTRY Index. décimale : B-G Résumé : 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. Note de contenu : "* Nanoclusters and Nanoparticles * One-Dimensional Nanosystems * Two-Dimensional Nanosystems * Nanocluster-Assembled Materials * Melting and Phase Transitions * Nanoparticles and Crystallization * Mechanical Properties of Inorganic Nanostructures * Thermal Properties of Inorganic Nanostructures * Modeling Optical and Excited-State Properties * 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". Cote : B-G052 Num_Inv : 3495 Localisation : B-G052 (SdS) Series in Materials Science and Engineering. Computational modeling of inorganic nanomaterials [texte imprimé] / Bromley, Stefan T., Éditeur scientifique ; Zwijnenburg, Martijn A., Éditeur scientifique . - CRC Press, 2016 . - xiv, 423 p. ISBN : 978-1-4665-7641-4 Features : Presents an introduction to key computational modeling methodologies with pointers to more detailed literature where necessary Provides a guide to the most appropriate choices of models and methods for describing particular classes of inorganic nanosystems and their structural/chemical/physical properties Includes examples drawn from state-of-the-art research, giving readers practical guidance on new modeling investigations Discusses the strengths and limitations of various approaches to modeling inorganic nanomaterials as well as current challenges in the field. Langues : Anglais (eng) Catégories : Matériaux Tags : NANOCHEMISTRY  NANOSTRUCTURED MATERIALS  INORGANIC CHEMISTRY  COMPUTATIONAL CHEMISTRY Index. décimale : B-G Résumé : 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. Note de contenu : "* Nanoclusters and Nanoparticles * One-Dimensional Nanosystems * Two-Dimensional Nanosystems * Nanocluster-Assembled Materials * Melting and Phase Transitions * Nanoparticles and Crystallization * Mechanical Properties of Inorganic Nanostructures * Thermal Properties of Inorganic Nanostructures * Modeling Optical and Excited-State Properties * 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". Cote : B-G052 Num_Inv : 3495 Localisation : B-G052 (SdS)

Exemplaires(1)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
3495	B-G052	Texte imprimé	Bibliothèque	Livre	Disponible

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