碳纳米管内Ni纳米线的螺旋度与热稳定性研究

杜玉光; 张凯旺; 彭向阳; 金福报; 钟建新

doi:10.7498/aps.61.176102

摘要

本文采用分子动力学模拟方法研究了扶手型碳纳米管包裹Ni纳米线的复合结构, 主要讨论内部Ni纳米线的螺旋度和热稳定性.结果表明, Ni纳米线为多壳层螺旋结构, 各壳层是由多条Ni原子链螺旋而成,不同层的螺旋度不同,内层的螺旋度明显大于外层. 当每层的Ni原子链条数为3的整数倍时,其螺旋度最大. Ni纳米线的螺旋度与碳纳米管的管径相关,各层螺旋度的大小随管径的增加有明显的周期性变化. 碳纳米管对Ni纳米线有很好的保护作用,即使是高温对Ni纳米线的结构及螺旋度也影响很小.

关键词:

Abstract

Molecular dynamics calculations are performed to study the structures of armchair carbon nanotubes (CNTs) encapsulating Ni nanowires and their helicities and thermal stabilities are discussed. It is found that Ni nanowires are of multiple helical tubular structure and each layer is composed of several Ni atom chains. Different layers of Ni nanowires have different helicities and the helicities of Ni nanowires in the inner layer are greater than those of the outer one. What is more, the helicity will be greatest when the number of the Ni atom chains is an integer multiple of three. As the increases of the diameters of the CNTs, the helicities of Ni nanowires change periodically. The structure and helicity only have tiny variations even at high temperature as the CNTs can protect the Ni nanowire.

Keywords:

作者及机构信息

1.
湘潭大学材料与光电物理学院, 量子工程与微纳能源技术研究所, 湘潭 411105

基金项目: 国家自然科学基金(批准号: 10974166, 10774127)和湖南省教育厅重点项目(批准号: 09A094, 10A118)资助的课题.

Authors and contacts

1.
Faculty of Materials, Optoelectronics and Physics, Institute for Quantum Engineering and Micro-Nano Energy Technology, Xiangtan University, Xiangtan 411105, China

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 10974166, 10774127), and the Research Foundation of Education Bureau of Hunan Province, China (Grant Nos. 09A094, 10A118).

参考文献

[1]	Ajayan P M, Iijima S 1993 Nature 361 333
[2]	Tapia A, Aguilera L, Cab C, Medina-Esquivel R A, Coss R, Canto G 2010 Carbon 48 4057
[3]	Sun F W, Li H, Liew K M 2010 Carbon 48 1586
[4]	Guo S H, Zhu B E, Ou X D, Pan Z Y, Wang Y X 2010 Carbon 48 4129
[5]	Ruoff R S, Lorents D C, Chan B 1993 Science 259 346
[6]	Guerret C, Bouar L Y, Loseau A 1994 Nature 372 761
[7]	Grobert N, Hsu W K, Zhu Y Q, Hare J P, Kroto H W, Terrones M, Terrones H, Redlich P, Ruhle M, Escudero R, Morales F 1999 Appl. Phys. Lett. 75 3363
[8]	Tsang S C, Chen Y K, Harris P J F 1994 Nature 372 159
[9]	Arcidiacono S, Walther J H, Poulikakos D, Passerone D, Koumoutsakos P 2005 Phys. Rev. Lett. 94 105502
[10]	Xiao Y, Zhu B E, Guo S H, Wang Y X, Pan Z Y 2009 Nucl. Instrum. Methods Phys. Res. B 267 3067
[11]	Bao J C, Tie C Y, Xu Z 2002 Adv. Mater. 14 1483
[12]	Liang C H, Meng C W, zhang L D 2000 J. Cryst. Growth 218 136
[13]	Gülseren O, Ercolessi F, Tosatti E 1998 Phys. Rev. Lett. 80 3775
[14]	Ge Y, Fa w, Zhou J, Dong J M 2010 Phys. Lett. A 374 3258
[15]	Kondo Y, Takayanagi K 2000 Science 289 606
[16]	Zhang K W, Meng L J, Liu W L, Tang Y, Zhong X J 2008 Acta Phys. Sin. 57 4347 (in Chinese) [张凯旺, 孟利军, 李俊, 刘文亮, 唐翌, 钟建新 2008 57 4347]
[17]	Kosmider M, Dendzik Z, Pallucha S 2004 J. Molecu. Struct. 704 197
[18]	Xie Y, Zhang J M 2011 Chin. Phys. B 20 127302
[19]	Li H Y, Ren X B, Guo X Y 2007 Chem. Phys. Lett. 437 108
[20]	Jin W, Hui N J, Qu Sh X 2011 Acta Phys. Sin. 60 016301 (in Chinese) [金蔚, 惠宁菊, 屈世显 2011 60 016301]
[21]	Massobrio C, Pontilis V, Martin G 1990 Phys. Rev. B 41 10486
[22]	Zhang K W, Stocks G M, Zhong J X 2007 Nanotechnology 18 285703
[23]	Zhang K W 2008 Natur Sci. J. Xiangtan Univ. 30 43 (in Chinese) [张凯旺 2008 湘潭大学自然科学学报 30 43]
[24]	Tersoff J 1988 Phys. Rev. Lett. 61 2879
[25]	Tersoff J, Ruoff R S 1994 Phys. Rev. Lett. 73 676
[26]	Zhang K W, Zhong J X 2008 Acta Phys. Sin. 57 3679 (in Chinese) [张凯旺, 钟建新 2008 57 3679]
[27]	Antonis N A, Madhu M, George F 2000 Phys. Rev. Lett. 85 3193
[28]	Amara H, Bichara C, Ducastelle F 2006 Phys. Rev. B 73 113404
[29]	Song X H, Gan Z Y 2009 J. Comput. Phys. 106 104308
[30]	Banerjee S, Puri I K 2008 Nanotechnology 19 155702
[31]	Li S L, Zhang J M 2011 Acta Phys. Sin. 7 078801 (in Chinese) [李姝丽, 张建民 2011 7 078801]
[32]	Guo Y F, Guo W L 2006 Nanotechnology 17 4726
[33]	Arcidiacono S, Walther J H, Poulikakos D, Passerone D, Koumoutakos P 2005 Phys. Rev. Lett. 94 105502
[34]	Ge H, Fa W, Zhou J, Dong J M 2010 Phys. Lett. A 374 3258
[35]	Honeycutt J D, Anderson H C 1987 J. Phys. Chem. 91 4950
[36]	Zhou G R, Gao Q M 2007 Acta Phys. Sin. 56 1499 (in Chinese) [周国荣, 高秋明 2007 56 1499]

施引文献

[1]	Ajayan P M, Iijima S 1993 Nature 361 333
[2]	Tapia A, Aguilera L, Cab C, Medina-Esquivel R A, Coss R, Canto G 2010 Carbon 48 4057
[3]	Sun F W, Li H, Liew K M 2010 Carbon 48 1586
[4]	Guo S H, Zhu B E, Ou X D, Pan Z Y, Wang Y X 2010 Carbon 48 4129
[5]	Ruoff R S, Lorents D C, Chan B 1993 Science 259 346
[6]	Guerret C, Bouar L Y, Loseau A 1994 Nature 372 761
[7]	Grobert N, Hsu W K, Zhu Y Q, Hare J P, Kroto H W, Terrones M, Terrones H, Redlich P, Ruhle M, Escudero R, Morales F 1999 Appl. Phys. Lett. 75 3363
[8]	Tsang S C, Chen Y K, Harris P J F 1994 Nature 372 159
[9]	Arcidiacono S, Walther J H, Poulikakos D, Passerone D, Koumoutsakos P 2005 Phys. Rev. Lett. 94 105502
[10]	Xiao Y, Zhu B E, Guo S H, Wang Y X, Pan Z Y 2009 Nucl. Instrum. Methods Phys. Res. B 267 3067
[11]	Bao J C, Tie C Y, Xu Z 2002 Adv. Mater. 14 1483
[12]	Liang C H, Meng C W, zhang L D 2000 J. Cryst. Growth 218 136
[13]	Gülseren O, Ercolessi F, Tosatti E 1998 Phys. Rev. Lett. 80 3775
[14]	Ge Y, Fa w, Zhou J, Dong J M 2010 Phys. Lett. A 374 3258
[15]	Kondo Y, Takayanagi K 2000 Science 289 606
[16]	Zhang K W, Meng L J, Liu W L, Tang Y, Zhong X J 2008 Acta Phys. Sin. 57 4347 (in Chinese) [张凯旺, 孟利军, 李俊, 刘文亮, 唐翌, 钟建新 2008 57 4347]
[17]	Kosmider M, Dendzik Z, Pallucha S 2004 J. Molecu. Struct. 704 197
[18]	Xie Y, Zhang J M 2011 Chin. Phys. B 20 127302
[19]	Li H Y, Ren X B, Guo X Y 2007 Chem. Phys. Lett. 437 108
[20]	Jin W, Hui N J, Qu Sh X 2011 Acta Phys. Sin. 60 016301 (in Chinese) [金蔚, 惠宁菊, 屈世显 2011 60 016301]
[21]	Massobrio C, Pontilis V, Martin G 1990 Phys. Rev. B 41 10486
[22]	Zhang K W, Stocks G M, Zhong J X 2007 Nanotechnology 18 285703
[23]	Zhang K W 2008 Natur Sci. J. Xiangtan Univ. 30 43 (in Chinese) [张凯旺 2008 湘潭大学自然科学学报 30 43]
[24]	Tersoff J 1988 Phys. Rev. Lett. 61 2879
[25]	Tersoff J, Ruoff R S 1994 Phys. Rev. Lett. 73 676
[26]	Zhang K W, Zhong J X 2008 Acta Phys. Sin. 57 3679 (in Chinese) [张凯旺, 钟建新 2008 57 3679]
[27]	Antonis N A, Madhu M, George F 2000 Phys. Rev. Lett. 85 3193
[28]	Amara H, Bichara C, Ducastelle F 2006 Phys. Rev. B 73 113404
[29]	Song X H, Gan Z Y 2009 J. Comput. Phys. 106 104308
[30]	Banerjee S, Puri I K 2008 Nanotechnology 19 155702
[31]	Li S L, Zhang J M 2011 Acta Phys. Sin. 7 078801 (in Chinese) [李姝丽, 张建民 2011 7 078801]
[32]	Guo Y F, Guo W L 2006 Nanotechnology 17 4726
[33]	Arcidiacono S, Walther J H, Poulikakos D, Passerone D, Koumoutakos P 2005 Phys. Rev. Lett. 94 105502
[34]	Ge H, Fa W, Zhou J, Dong J M 2010 Phys. Lett. A 374 3258
[35]	Honeycutt J D, Anderson H C 1987 J. Phys. Chem. 91 4950
[36]	Zhou G R, Gao Q M 2007 Acta Phys. Sin. 56 1499 (in Chinese) [周国荣, 高秋明 2007 56 1499]

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