Density-functional study of structural and electronic properties of bimetallic Cu-Ni clusters
The DMol method based on density functional theory has been employed to study the structural stability and electronic structure of Cu-Ni clusters.The ground states have been found out for CunNim(3≤n+m≤6) clusters.The computational results show that the binding energy, the symmetry,the bond length,the energy difference ΔE between the LUMO and HOMO and the total spin moments.It is concluded that doping clusters Ni-Cu are more stablity than the pure clusters Nin.
Novel nanocube-aggregated cauliflower-like copper hierarchical 3D nanostructures were successfully synthesized by a facile electroless deposition method. The formation and evolution can be attributed to the synergic effect of aggregation and ripening mechanisms. Moreover, such nanostructures exhibit electrocatalytic activity in the electoreduction of oxygen.