Electronic structure of large modified nickel nanoclusters

• Published in: Condensed Matter Physics
• Date: 2006
• Main Authors: Pokhmurskii, V., Kopylets, V., Korniy, S.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2006
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/121449
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Electronic structure of large modified nickel nanoclusters / V. Pokhmurskii, V. Kopylets, S. Korniy // Condensed Matter Physics. — 2006. — Т. 9, № 4(48). — С. 773–776. — Бібліогр.: 9 назв. — англ.

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,...