Determination of the threshold of nanoparticle behavior: Structural and electronic properties study of nano-sized copper

摘要: Abstract In the present work we determine threshold of nanoparticle behavior copper nanoparticles by studying their structural and electronic properties. The studied contain from 13 to 8217 atoms were obtained molecular dynamics simulations using Johnson potential for based on embedded atom method. results indicate that small ( 1000 , ~2.8 nm) surface plays an important role in physical Whereas, large > 2000 ~3.5 nm), with spherical-like external shape percentage fcc-like local structure, this effect is negligible character are similar such expected solid copper. Finally, it has also been shown change character, metallic insulating, after increasing strength chemical disorder.