単層カーボンナノチューブ生成過程において触媒金属種の違いが与える影響(熱工学,内燃機関,動力など)

概要

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Interaction between catalytic metals and carbon atoms in formation process of single-walled carbon nanotubes (SWNTs) is studied by classical molecular dynamics simulation with the newly-developed many-body potential functions between carbon atoms and several transition metal atoms. A Co cluster has a crystal structure where metal atoms are regularly allocated and embedded in the hexagonal carbon network. On the other hand, carbon atoms cover the entire surface in case of the Fe cluster. The number of hexagonal rings in the Co cluster increases about twice as fast as the one in the Fe cluster. This implies that the graphitic lattice interacts more strongly with Co atoms than with Fe atoms. The difference of graphitization ability may reflect the ability as a catalyst in the formation process of SWNTs.
社団法人日本機械学会の論文
2006-10-25