Electronic Structure of Gold Nanoclusters. Properties of Gold Nanoclusters Based on Density Functional Theory

      Аннотация: Study of metal nanoclusters is interesting as they exhibit properties very different from atoms on one hand and bulk matter on the other. Computational studies of nanoclusters enable detailed investigation into their structural and electronic properties which are difficult to obtain experimentally due to the small sizes involved. This book provides a fascinating account of the properties of small gold nanoclusters upto 13 atom size. Gold nanoclusters can be used as catalysts for various reactions including CO oxidation. As the catalytic properties of nanoclusters are found to be enhanced on providing a metal oxide support the authors have studied CO adsorption on bare and zeolite supported gold nanoclusters. This book will give a detailed insight into the systematic methodology for studying metal clusters.

Ключевые слова: Gold nanocluster; Density Functional Theory; CO adsorption