Understanding the bond-making and bond-breaking of Fe-filled SWNT on Ni(111)

• Main Authors: David, Melanie Yadao, Kasai, Koichiro, Moreno, Joaquin Lorenzo Valmoria, Kasai, Hideaki
• 格式: text
• 出版: Animo Repository 2008
• 主題: Iron; Nickel; Transition metals; Carbon nanotubes; Density functionals; Physics
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/4002

In the previous studies, the stable structures and magnetic properties of Fe-filled single-walled carbon nanotubes (SWNTs) on Ni(111) were investigated based on first principles calculations. The SWNT transformed into arch-like structure when the Fe atom was placed inside it near the Ni surface.In o...