Ebook: Clusters and Nanomaterials: Theory and Experiment

The field of cluster sciences is currently attracting considerable interest, not only from a fundamental viewpoint but also in relation to future applications to electronic, optical and magnetic devices. Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate properties such as chemical reaction, structural stability, response to external fields, aggregation and phase transitions, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments. This book compiles and collates recent theoretical and experimental advances in the field and demonstrates how the harmony between theory and experiment is contributing to the continuing rapid progress. It will be of interest not only to researchers, but also to students and newcomers seeking a review of the present status.

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The field of cluster sciences is currently attracting considerable interest, not only from a fundamental viewpoint but also in relation to future applications to electronic, optical and magnetic devices. Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate properties such as chemical reaction, structural stability, response to external fields, aggregation and phase transitions, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments. This book compiles and collates recent theoretical and experimental advances in the field and demonstrates how the harmony between theory and experiment is contributing to the continuing rapid progress. It will be of interest not only to researchers, but also to students and newcomers seeking a review of the present status.

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The field of cluster sciences is currently attracting considerable interest, not only from a fundamental viewpoint but also in relation to future applications to electronic, optical and magnetic devices. Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate properties such as chemical reaction, structural stability, response to external fields, aggregation and phase transitions, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments. This book compiles and collates recent theoretical and experimental advances in the field and demonstrates how the harmony between theory and experiment is contributing to the continuing rapid progress. It will be of interest not only to researchers, but also to students and newcomers seeking a review of the present status.
Content:
Front Matter....Pages I-XV
Brief Introduction....Pages 1-5
Front Matter....Pages 7-7
Ab Initio Computer Simulations on Microclusters: Structures and Electronic Properties....Pages 9-88
Stability of Multiply Charged Transition Metal Clusters....Pages 89-96
Front Matter....Pages 97-97
Adsorption of Methanol Molecules on Nickel Cluster Ions....Pages 99-108
Cluster Investigations in Cyclodextrin Inclusion Compounds: Theory and Experiment....Pages 109-131
Front Matter....Pages 133-133
The Nanostructure of C60 Photopolymers....Pages 135-169
Formation of Foreign-Atom-Doped Fullerenes....Pages 171-186
Electronic, Transport and Mechanical Properties of Carbon Nanotubes....Pages 187-220
Nanostructural Characterization of Inorganic Materials by High-Resolution Electron Microscopy....Pages 221-244
Front Matter....Pages 245-245
Phase Behavior in Systems of Large Molecules....Pages 247-275
Formation of Free Clusters and Their Structures: Molecular Dynamics Simulations....Pages 277-293
Extended Ensemble Monte Carlo Method....Pages 295-307
Molecular Dynamics Simulation for Deformation Dynamics of Ni/Ni3Al Composite with FGM or NFGM Type Interface....Pages 309-322
Size-Dependent Evolution of Conduction-Electron Excitations in Small Spherical Particles....Pages 323-339
Back Matter....Pages 341-347

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The field of cluster sciences is currently attracting considerable interest, not only from a fundamental viewpoint but also in relation to future applications to electronic, optical and magnetic devices. Synthesizing specific clusters as a component of useful nanostructures or controlling them as an assembly of nanocomposites is the ultimate aim. In order to understand how to synthesize individual clusters or to investigate properties such as chemical reaction, structural stability, response to external fields, aggregation and phase transitions, a variety of first-principles and empirical calculations and related computer simulations have been performed alongside numerous experiments. This book compiles and collates recent theoretical and experimental advances in the field and demonstrates how the harmony between theory and experiment is contributing to the continuing rapid progress. It will be of interest not only to researchers, but also to students and newcomers seeking a review of the present status.
Content:
Front Matter....Pages I-XV
Brief Introduction....Pages 1-5
Front Matter....Pages 7-7
Ab Initio Computer Simulations on Microclusters: Structures and Electronic Properties....Pages 9-88
Stability of Multiply Charged Transition Metal Clusters....Pages 89-96
Front Matter....Pages 97-97
Adsorption of Methanol Molecules on Nickel Cluster Ions....Pages 99-108
Cluster Investigations in Cyclodextrin Inclusion Compounds: Theory and Experiment....Pages 109-131
Front Matter....Pages 133-133
The Nanostructure of C60 Photopolymers....Pages 135-169
Formation of Foreign-Atom-Doped Fullerenes....Pages 171-186
Electronic, Transport and Mechanical Properties of Carbon Nanotubes....Pages 187-220
Nanostructural Characterization of Inorganic Materials by High-Resolution Electron Microscopy....Pages 221-244
Front Matter....Pages 245-245
Phase Behavior in Systems of Large Molecules....Pages 247-275
Formation of Free Clusters and Their Structures: Molecular Dynamics Simulations....Pages 277-293
Extended Ensemble Monte Carlo Method....Pages 295-307
Molecular Dynamics Simulation for Deformation Dynamics of Ni/Ni3Al Composite with FGM or NFGM Type Interface....Pages 309-322
Size-Dependent Evolution of Conduction-Electron Excitations in Small Spherical Particles....Pages 323-339
Back Matter....Pages 341-347
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