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Structure and Properties of Atomic Nanoclusters

Author: Julio A. Alonso

Publisher: World Scientific

Published: 2012

Total Pages: 492

ISBN-13: 1848167342

Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the structural, electronic, thermodynamic and magnetic properties of clusters, covering both experiments and the theoretical work that has led to our present understanding of the different properties of clusters. The question of assembling nanoclusters to form solids with new properties is also considered. Having an adequate knowledge of the properties of clusters can be of great help to any scientist working with objects of nanometric size. On the other hand, nanoclusters are themselves potentially important in fields like catalysis and nanomedicine.

Structure And Properties Of Atomic Nanoclusters (2nd Edition)

Author: Julio A Alonso

Publisher: World Scientific

Published: 2011-08-23

Total Pages: 492

ISBN-13: 1908977752

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Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to the small size of these pieces of matter, the properties of atomic clusters in general are different from those of the corresponding material in the macroscopic bulk phase. This monograph presents the main developments of atomic clusters and the current status of the field. The book treats different types of clusters with very different properties: clusters in which the atoms or molecules are tied by weak van der Waals interactions, metallic clusters, clusters of ionic materials, and network clusters made of typical covalent elements. It includes methods of experimental cluster synthesis as well as the structural, electronic, thermodynamic and magnetic properties of clusters, covering both experiments and the theoretical work that has led to our present understanding of the different properties of clusters. The question of assembling nanoclusters to form solids with new properties is also considered.Having an adequate knowledge of the properties of clusters can be of great help to any scientist working with objects of nanometric size. On the other hand, nanoclusters are themselves potentially important in fields like catalysis and nanomedicine./a

Structure and Properties of Atomic Nanoclusters

Author: Julio A. Alonso

Publisher: World Scientific

Published: 2012

Total Pages: 492

ISBN-13: 1848167334

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Atomically Precise Metal Nanoclusters

Author: Zhikun Wu

Publisher: Springer Nature

Published: 2022-06-01

Total Pages: 129

ISBN-13: 3031023897

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Atomically precise metal nanocluster research has emerged as a new frontier. This book serves as an introduction to metal nanoclusters protected by ligands. The authors have summarized the synthesis principles and methods, the characterization methods and new physicochemical properties, and some potential applications. By pursuing atomic precision, such nanocluster materials provide unprecedented opportunities for establishing precise relationships between the atomic-level structures and the properties. The book should be accessible to senior undergraduate and graduate students, researchers in various fields (e.g., chemistry, physics, materials, biomedicine, and engineering), R&D scientists, and science policy makers.

Electronic and structural properties of nanoclusters

Author: Alexey Tal

Publisher: Linköping University Electronic Press

Published: 2018-03-15

Total Pages: 92

ISBN-13: 9176853497

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Nanoclusters have gained a huge interest due to their unique properties. They represent an intermediate state between an atom and a solid, which manifests itself in their atomic configurations and electronic structure. The applications of nanoclusters require detailed understanding of their properties and strongly depend on the ability to control their synthesis process. Significant effort has been invested in modelling of nanoclusters properties. However, the complexity of these systems is such that many aspects of their growth process and properties are yet to be understood. My thesis focuses on describing structural and electronic properties of nanoclusters. In particular, the model for nanoparticles growth in plasma condition is developed and applied, allowing to describe the influence of the plasma conditions on the evaporation, growth and morphological transformation processes. The mechanism driving the morphology transition from icosahedral to decahedral phase is suggested based on force-fields models. Spectroscopic methods allow for precise characterization of nanoclusters and constitute an important tool for analysis of their electronic structure of valence band as well as core-states. The special attention in the thesis is paid to the core-states of nanoclusters and influences that affect them. In particular, the effects of local coordination, interatomic distances and confinement effects are investigated in metal nanoclusters by density functional theory methods. These effects and their contribution to spectroscopic features of nanoclusters in X-ray photoemission are modelled. The relation between the reactivity of nanoclusters and their spectroscopic features calculated in different approximations are revealed and explained. Ceria is a very important system for many applications due to the ability of cerium atoms to change their oxidation state depending on the environment. The shift of the oxidation state and its effects on the core-states is examined with X-ray absorption measurements and modelling allowing to build a rigid foundation for interpretation of the measured spectra and characterization of electronic structure of ceria nanoparticles.

Atomically Precise Nanoclusters

Author: Rongchao Jin

Publisher: CRC Press

Published: 2021-05-30

Total Pages: 346

ISBN-13: 1000246396

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The primary goal of nanotechnology is to achieve nanoscale materials and devices with atomic precision. Toward this goal, breakthroughs have recently been made in the solution-phase synthesis and applications of atomically precise nanoclusters. This book presents the exciting progress in this new research field. The chapters are contributed by leading experts of the field and cover the synthetic methods, atomic structures, electronic and optical properties, and catalytic applications of noble metal nanoclusters. Such new nanocluster materials offer exciting opportunities for chemists and physicists to understand the fundamental science of nanoclusters, especially the atomic-level structure–property correlation and design of new materials, as well as for developing a range of applications including catalysis, biomedicine, sensing, imaging, optics, and energy conversion. The book will be of interest to readers and researchers in nanotechnology, nanochemistry, catalysis, and computational chemistry, as well as practitioners in industry R&D for new materials. It is written to be accessible to undergraduate and graduate students and, therefore, is an excellent teaching material.

Structure and Properties of Nanoalloys

Author: Riccardo Ferrando

Publisher: Elsevier

Published: 2016-09-03

Total Pages: 352

ISBN-13: 0081002475

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Structure and Properties of Nanoalloys is devoted to the topic of alloy nanoparticles, the bi-or multicomponent metallic nanoparticles that are often called nanoalloys. The interest in nanoalloys stems from the wide spectrum of their possible applications in the fields of catalysis, magnetism, and optics. Nanoalloys are also interesting from a basic science point-of-view due to the complexity of their structures and properties. Nanoalloys are presently a very lively research area, with impressive developments in the last ten years. This book meets the need to systematize the wealth of experimental and computational results generated over the last decade. Provides a well-organized, coherent overall structure, with a tutorial style format ideal for teaching and self-study In-depth and fluent descriptions by a single leading academic Presents a wealth of experimental and computational results generated over the last decade

Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control

Author: Benedetto Corain

Publisher: Elsevier

Published: 2011-08-11

Total Pages: 471

ISBN-13: 0080555004

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Metal Nanoclusters in Catalysis and Materials Science: The Issue of Size Control deals with the synthesis of metal nanoclusters along all known methodologies. Physical and chemical properties of metal nanoclusters relevant to their applications in chemical processing and materials science are covered thoroughly. Special attention is given to the role of metal nanoclusters size and shape in catalytic processes and catalytic applications relevant to industrial chemical processing.An excellent text for expanding the knowledge on the chemistry and physics of metal nanoclusters. Divided in two parts; Part I deals with general aspects of the matter and Part II has to be considered a useful handbook dealing with the production of metal nanoclusters, especially from their size-control point of view. * Divided into two parts for ease of reference: general and operational * Separation of synthetic aspects, physical properties and applications* Specific attention is given to the task of metal nanoclusters size-control

On the Electronic and Geometric Structure Properties of Silicon-germanium Nanoclusters

Author: Sarah Elizabeth Duesman

Publisher:

Published: 2011

Total Pages:

ISBN-13:

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Hybrid density functional theory has been used to study the electronic and geometric structure properties of silicon-germanium nanoclusters containing up to eight atoms. The hybrid functional used is Becke's three-parameter exchange functional with the exchange-correlation functional of Lee, Yang, and Parr (B3LYP). A large 6-311G(3df,3pd) basis set as implemented in the suite of software Gaussian 03/09 has been used for accurate determinations of all properties of the SimGen (m + n [lesser or equal to] 8) nanoclusters. For each cluster, various different isomers have been studied to arrive at a global minimum energy structure, and for each of these isomers we report our results on bond lengths, symmetry group, electronic state, binding energy per atom, HOMO-LUMO gap, and dipole moment. We also report results on vertical ionization potential, adiabatic ionization potential, vertical electron affinity, and adiabatic electron affinity. Results have been compared with available experimental results. Finally, for the lowest energy isomers, harmonic frequencies, fragmentation energies, average coordination numbers, and Mulliken atomic charges have been calculated.

Metal Nanocluster Chemistry

Author: Manzhou Zhu

Publisher: Elsevier

Published: 2023-01-18

Total Pages: 396

ISBN-13: 0323904750

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Atomically precise metal nanoclusters occupy the gap between discrete atoms and plasmonic nanomaterials, and they offer intriguing physical-chemical properties that can be rationalized in terms of their quantum size effects and discrete electronic states. The atomically precise nature of their structures lends them well to structure-property relationship elucidation, making them particularly useful for informing the rational design of nanoclusters with enhanced performance. Metal Nanocluster Chemistry: Ligand-Protected Metal Nanoclusters With Atomic Precision provides a concise introduction to the study of these useful nanoclusters. Beginning with an introduction to the fundamental concepts of, and prospects for, metal nanoclusters, the book goes on to highlight synthetic methods for controllable preparation. The subsequent chapters then highlight characterization, mechanism of size growth and structure evolution, and physical-chemical properties. Later chapters examine theoretical approaches for calculating and evaluating structures and properties. They also highlight the assembly of nanocluster building blocks and their practical applications. Drawing on the knowledge of its expert author, Metal Nanocluster Chemistry is a useful introductory guide to these exciting structures. Provides a concise introduction to atomically-precise metal nanoclusters, ranging from characterization and property investigation to applications Includes insight into both current trends and future potential, encouraging and supporting further development Holistically combines physical approaches with theoretical calculation methods