Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos
2012, VIII, 358 p. 176 illus., 138 illus. in color.
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The first book on metal clusters and nanoparticles with a balance of theory and applications
Sample simulation programs to illustrate the application of molecular dynamics and Monte Carlo simulation programs to nanoclusters available online
Metallic nanoparticles are promising materials due to their potential applications to a wide array of disciplines ranging from novel building materials to medicine. This book is the first of its kind, focusing solely on the most advanced theoretical techniques to model and simulate metallic clusters and nanoparticles. It includes a summary of the current state of research on metallic nanoparticles, detailed explanations of why and how these tools help experimentalists, and cutting edge contributions from renowned experts in the field from around the globe.
Experimental and simulated electron microscopy in the study of metal nanostructures.- Density-functional theory of free and supported mtal nanoclusters and nanoalloys.- Closed-shell metal clusters.- Optical properties of metal nanoclusters from an atomistic point of view.- Spin-fluctuation theory of cluster magnetism.- Thermodynamics and kinetics using semi-empirical approaches.- Structure and chemical ordering in nanoalloys: Towards nanoalloys phase diagrams.- Modeling of Janus nanoparticles.- Modeling of protected nanoparticles.- Thermodynamic modeling of metallic nanoclusters.