Computational Modelling of Nanoparticles highlights recent advances in the power and versatility of computational modelling, experimental techniques, and how new progress has opened the door to a more detailed and comprehensive understanding of the world of nanomaterials. Nanoparticles, having dimensions of 100 nanometers or less, are increasingly being used in applications in medicine, materials and manufacturing, and energy. Spanning the smallest sub-nanometer nanoclusters to nanocrystals with diameters of 10s of nanometers, this book provides a state-of-the-art overview on how computational modelling can provide, often otherwise unobtainable, insights into nanoparticulate structure and properties. This comprehensive, single resource is ideal for researchers who want to start/improve their nanoparticle modelling efforts, learn what can be (and what cannot) achieved with computational modelling, and understand more clearly the value and details of computational modelling efforts in their area of research. Explores how computational modelling can be successfully applied at the nanoscale levelIncludes techniques for the computation modelling of different types of nanoclusters, including nanoalloy clusters, fullerines and Ligated and/or solvated nanoclustersOffers complete coverage of the use of computational modelling at the nanoscale, from characterization and processing, to applications INDICE: 1. Introduction to modelling nanoclusters and nanoparticles (Eds.)2. Global optimisation of nanoclusters3. Cluster-assembled materials4. Thermodynamics of clusters and nanoparticles5. Supported metal cluster catalysts 6. Nanoalloy clusters and particles7. Fullerenes and other cage-like nanoclusters8. Modelling using nanoparticles versus periodic systems 9. Nucleation and growth of nanoparticles10. Electronic and optical properties of nanoparticles11. Biomedical applications of nanoparticles12. Ligated and/or solvated nanoclusters13. Size-dependent crossovers in structure and properties
- ISBN: 978-0-08-102232-0
- Editorial: Elsevier
- Encuadernacion: Cartoné
- Páginas: 500
- Fecha Publicación: 01/09/2018
- Nº Volúmenes: 1
- Idioma: Inglés