Electronic structure and transport study of ligand protected gold magic cluster Au20

Electronic structure and transport properties of magic sized gold cluster Au-20, is studied as a prototype of gold nanopatricle, in presence of single or multiple common capping ligands like alkyl amines or thiols to estimate the changes in electronic structure and transport properties brought in by the presence of excess chemically bonded ligands. The Au-20 cluster is tetrahedral and can bind organic ligands in apical, bridge and face centered sites. It is observed that chemisorbed thiol ligancls tend to modify the electronic structure and transport of gold clusters, but amine ligands being loosely bound does not significantly alter the electronic structure and transport properties of Au nanoparticles. (C) 2015 Elsevier B.V. All rights reserved.