Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications

Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields.Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications. Introduces readers to the vast structural and bonding diversity that clusters show and reflects on their potential for novel application and material development Highlights the latest computational methods and theoretical tools available for identification of the most stable isomers and accurate analysis of bonding in the clusters Focuses on clusters which violate the rules established in traditional chemistry and exhibit unusual structure, bonding and reactivity INDICE: Part 1: Introductory Information About Experimental and Theoretical Tools in Cluster Chemistry1. Introduction to Cluster Chemistry2. The Essence and Application of Global Minima Searching Code in Cluster Chemistry3. Modern Experimental Techniques to Generate and Characterize Atomic ClustersPart 2: Unusual Structural Diversity in Clusters4. Clusters with Planar Tetracoordinate Carbon5. Clusters with Planar Pentacoordinate Carbon and beyond6. Boron Nanorotors in Cluster Chemistry7. Boron Buckyball and Reactivityin Cluster Chemistry8. Clusters with Ultrashort Bond Distance9. Molecular Stars in Cluster Chemistry10. Highly Symmetric Nanoclusters11. Zwitterionic Clusters12. Bimetallic Clusters: Effect of Doping on Stability and Reactivity13. Inorganic Double-Helix in Cluster Chemistry14. Nanowheels in Cluster Chemistry15. Sandwiches and Inverse Sandwiches in Cluster ChemistryPart 3: Reactivity and Application of Clusters16. Clusters with Reactivity towards Noble Gas17. Carbon Monoxide and Dinitrogen Fixation by Clusters18. Clusters with Catalytic Property19. Superalkali and Superhalogen Property of Clusters20. Cluster Assisted Water-Splitting21. Relativistic Effects Induced Reactivity in Gold Clusters22. Hydrogen Storage Perspective of Clusters

• ISBN: 978-0-12-822943-9
• Editorial: Elsevier
• Encuadernacion: Rústica
• Páginas: 240
• Fecha Publicación: 01/09/2022
• Nº Volúmenes: 1
• Idioma: Inglés