Carbon nanoarch encapsulating Fe nanowire on NI(111)

• Main Authors: David, Melanie Y., Kishi, Tomoya, Kisaku, Masanori, Nakanishi, Hiroshi, Kasai, Hideaki
• 格式: text
• 出版: Animo Repository 2006
• 主題: Carbon nanotubes; Nanowires; Nanostructured materials; Nickel; Density functionals; Physics
• 在線閱讀: https://animorepository.dlsu.edu.ph/faculty_research/6773

We investigate the stable structures of single-walled carbon nanotubes (SWNTs) on Ni(111) and when a SWNT is filled with Fe wire on Ni(111), based on density functional theory. We find stable geometries and electronic states for the nanotube on Ni(111). We propose the possibility that the C–C bonds...