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cond-mat.mtrl-sci2005
Carbon Nanoarch Encapsulating Fe Nanowire on Ni (111)
Melanie David, Tomoya Kishi, Masanori Kisaku +2
We investigate the stable structures of Fe-filled single-walled carbon nanotubes (SWNTs) on Ni(111), using density functional theory calculations. We find stable geometries and ele…
cond-mat.mtrl-sci2004
H_2 Dissociative Adsorption at the Armchair Edges of Graphite
Wilson Agerico Dino, Yoshio Miura, Hiroshi Nakanishi +3
We investigate and discuss how hydrogen behaves at the edges of a graphite sheet, in particular the armchair edge. Our density functional theory-based calculations results show tha…