This book begins with a summary of the current state of research on metallic nanoparticles, then moves on to the current state of the art in theory of metallic nanoparticldes, and goes on to explain why and how these tools help experimentalists.

Metallic nanoparticles hold promise for their potential applications in a wide array of disciplines ranging from materials science to medicine. This book brings the power of theoretical methods to an audience of experimentalists, and explicates the simulation of metallic clusters and nanoparticles. It begins with a summary of the current state of research on metallic nanoparticles, then moves on to the current state of the art in theory of metallic nanoparticldes, and then explains why and how these tools help experimentalists. Contributions are provided by renowned experts in the field from across the world.

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

Klappentext

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.

Inhalt

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.