Year of publication
2011
Journal
Physical Review B
Issue
24
Volume
84
Starting page
245429
Abstract We use density functional theory (DFT) to investigate the electronic structure and chemical properties of gold nanoparticles . Different structural families of clusters are compared. For up to 60 atoms we optimize structures using DFT-based simulated ...
Keywords
METAL-CLUSTERS; JELLIUM MODEL; SODIUM CLUSTERS; TRANSITION; ADSORPTION; HYDROGEN; TEMPERATURE; DEPENDENCE
Research Areas
SUNCAT People