Electronic structure of large modified nickel nanoclusters

  • V. Pokhmurskii, V. Kopylets, S. Korniy
  • Published 2006
A combined method of quantum-chemical semiempirical approach MNDO and molecular dynamics with atomic potentials was used while studying the growth of large nanoclusters of nickel. Geometry and electronic structure of Ni485 were studied as well as a series of similar surface (111) substituted (by Pd, Pt, Cu, Mn and Cr) clusters. The role was analysed of the… CONTINUE READING