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DOI	10.1126/science.275.5300.647
	Microscopic growth mechanisms for carbon nanotubes
	Charlier J.-C.; De Vita A.; Blase X.; Car R.
发表日期	1997
ISSN	0036-8075
起始页码	646
结束页码	649
卷号	275 期号:5300
英文摘要	The uncatalyzed edge growth of carbon nanotubes was investigated by first-principles molecular dynamics simulations. At experimental temperatures the open end of single-walled nanotubes closed spontaneously into a graphitic dome, which may explain why these nanotubes do not grow in the absence of transition metal catalysts. On the other hand, chemical bonding between the edges of adjacent coaxial tubes ('lip-lip' interactions) trapped the end of a double-walled nanotube in a metastable energy minimum, thus preventing dome closure. These calculations show that this end geometry exhibits a high degree of chemical activity and easily accommodates incoming carbon fragments, supporting a model of growth by chemisorption from the vapor phase.
英文关键词	article; dynamics; electric field; microscope image; priority journal; simulation
语种	英语
来源期刊	Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/243278
作者单位	Inst. Romand Rech. Numerique P., Ecublens, CH-1015 Lausanne, Switzerland; U. Phys.-Chim. et de Phys. des Mat., Univ. Catholique de Louvain, Place Croix du Sud 1, B-1348 Louvain-la-Neuve, Belgium; Dept. de Phys. des Matériaux, Université Claude Bernard, 43 bd. du 11 Novembre 1918, F-69622 Villeurbanne Cedex, France
推荐引用方式 GB/T 7714	Charlier J.-C.,De Vita A.,Blase X.,et al. Microscopic growth mechanisms for carbon nanotubes[J],1997,275(5300).
APA	Charlier J.-C.,De Vita A.,Blase X.,&Car R..(1997).Microscopic growth mechanisms for carbon nanotubes.Science,275(5300).
MLA	Charlier J.-C.,et al."Microscopic growth mechanisms for carbon nanotubes".Science 275.5300(1997).