Cluster Assembled Materials

It is now some 15 years since atomic clusters were first produced and investigated in laboratories. Since then, knowledge concerning clusters has enjoyed rapid and sustained growth, and cluster research has become a new branch of science.

Explore the theory and applications of superatomic clusters and cluster assembled materials Superatoms: Principles, Synthesis and Applications delivers an insightful and exciting exploration of an emerging subfield in cluster science, superatomic clusters and cluster assembled materials. The book presents discussions of the fundamentals of superatom chemistry and their application in catalysis, energy, materials science, and biomedical sciences. Readers will discover the foundational significance of superatoms in science and technology and learn how they can serve as the building blocks of tailored materials, promising to usher in a new era in materials science. The book covers topics as varied as the thermal and thermoelectric properties of cluster-based materials and clusters for CO2 activation and conversion, before concluding with an incisive discussion of trends and directions likely to dominate the subject of superatoms in the coming years. Readers will also benefit from the inclusion of: A thorough introduction to the rational design of superatoms using electron-counting rules Explorations of superhalogens, endohedrally doped superatoms and assemblies, and magnetic superatoms A practical discussion of atomically precise synthesis of chemically modified superatoms A concise treatment of superatoms as the building blocks of 2D materials, as well as superatom-based ferroelectrics and cluster-based materials for energy harvesting and storage Perfect for academic researchers and industrial scientists working in cluster science, energy materials, thermoelectrics, 2D materials, and CO2 conversion, Superatoms: Principles, Synthesis and Applications will also earn a place in the libraries of interested professionals in chemistry, physics, materials science, and nanoscience.

This book supplies a systematic description of the preparation, characterization, and manipulation of cluster beams for the synthesis of nanocrystalline materials. It addresses all issues relevant to the realization of nanophase structures, providing an excellent introduction for scientists working in different fields. Particular emphasis is placed on using the technique for nanostructured materials and on explaining the role of cluster beams within the context of other experimental techniques in surface-science.

Our work falls naturally into three categories: (1) local density calculations of cluster structures and the development of classical potentials, (2) simulation of thermodynamic properties of clusters and their fusion, and (3) macroscopic (continuum theory) modeling of the sintering process. These topics will be addressed in turn. Although the nominal focus of the proposal is on sintering processes, many issues important to sintering are generic in nature and thus also important in other areas of cluster science. These issues have been approached from a broad perspective, leading to results which impact the whole field of clusters and cluster-assembled materials.

This book covers the synthesis and characterization of materials with atomic dimension. These include atomic clusters, nanostructured materials, multilayers and one-dimensional arrays. The effect of reduced size and dimensionality on electronic, magnetic, optical and catalytic properties and the technological prospects of atomically engineered materials is highlighted.

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.