Atomic-Level Doping of Metal Clusters

Atomic-scale Modeling of Transition-metal Doping of Semiconductor Nanocrystals

QTAIM study of Bonding and Structure of Pure Atomic Clusters,Part III : Nn Clusters (n= 4,6)

DFT and QTAIM computations have been performed on numbers of pure nitrogen cluster speciesi.e. Nn (n = 4, 6) for investigating the structure and bonding. This study is critical since thesemolecules have been nominated as the good synthetic targets of High Energy Materials (HEM).0nthe other hand the decomposition mechanism is closely depends on the bonding pattern. Thislatter concept was searche...

Synthesis of atomic metal clusters on nanoporous alumina.

The synthesis of atomic metal (gold and nickel) clusters by pulsed galvanostatic electrodeposition on nanoporous alumina is presented. The method allows the production of clusters with an average diameter of 0.7 nm for gold and 1.1 nm for nickel, while the size can be controlled through the current density applied. This strategy represents a simple and efficient method for the construction of h...

Atomic hole doping of graphene.

The application of graphene in nanoscale electronic devices requires the deliberate control of the density and character of its charge carriers. We show by angle-resolved photoemission spectroscopy that substantial hole doping in the conical band structure of epitaxial graphene monolayers can be achieved by the adsorption of bismuth, antimony, or gold. In the case of gold doping the Dirac point...

Fragmentation Phase Transitions in Atomic Clusters Iii – Coulomb Explosion of Metal Clusters –

We discuss the role and the treatment of polarization effects in many-body systems of charged conducting clusters and apply this to the statistical fragmentation of Na-clusters. We see a first order microcanonical phase transition in the fragmentation of N a Z+ 70 for Z = 0 to 8. We can distinguish two fragmentation phases, namely evaporation of large particles from a large residue and a comple...