Carbon nanoarch encapsulating Fe nanowire on NI(111)

• المؤلفون الرئيسيون: David, Melanie Y., Kishi, Tomoya, Kisaku, Masanori, Nakanishi, Hiroshi, Kasai, Hideaki
• التنسيق: text
• منشور في: Animo Repository 2006
• الموضوعات: Carbon nanotubes; Nanowires; Nanostructured materials; Nickel; Density functionals; Physics
• الوصول للمادة أونلاين: 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...