Modeling of Protected Nanoparticles

J. A. OLMOS ASAR; M. M. MARISCAL

Metal Clusters and Nanoalloys: From Modeling to applications

Springer

Año: 2012; p. 275 - 304

In this chapter we have discussed the most outstanding experiments concerning surfactant-protected nanoparticles. In particular we have focused on thiol-capped metal nanosystems, due to their potential applications in a wide range of areas. The exciting future of thiol-Au clusters and nanoparticles lies in their biological applications as hybrid biological-inorganic systems. We have considered the most significant efforts to understand the complexity of these systems from theoretical considerations. In this sense, we have shown a wide diversity of models, high-accuracy calculations and computer simulation techniques applied to the modeling of protected metallic clusters and nanoparticles. The development of new semi-empirical approaches give thermodynamics and kinetics a new and significant role, since with the introduction of new methodologies along with the enormous growth in computer power, the future seems very promising for this field of research.