Simulations on the effects of confinement and Ni-catalysis on the formation of tubular fullerene structures from peapod precursors

Simulations on the effects of confinement and Ni-catalysis on the formation of tubular fullerene structures from peapod precursors

We applied the recently developed reactive force field (ReaxFF) to study the dynamics of tubular fullerene formation process starting from C60-buckyball/nanotube peapod structures. We found that the space confinement provided by the single-wall nanotube encapsulating the buckyballs is...

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書目詳細資料
Main Authors:	Su, Haibin, Adri C. T. van Duin, Nielsen, Robert J., Goddard III, William A.
其他作者:	School of Materials Science & Engineering
格式:	Article
語言:	English
出版:	2011
主題:	DRNTU::Engineering::Materials::Nanostructured materials
在線閱讀:	https://hdl.handle.net/10356/93824 http://hdl.handle.net/10220/6897
標簽:	添加標簽沒有標簽, 成為第一個標記此記錄!
機構:	Nanyang Technological University
語言:	English

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