碳纳米管/金属复合结构原子沉积机制及调控方法
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摘要
利用分子动力学方法研究了两种典型金属原子在碳纳米管表面沉积的物理过程、结构形态及关键影响因素,并提出控制和改善金属原子对碳纳米管表面包覆能力的方法.结果表明,碳纳米管对金属的吸附作用和金属之间的聚合作用共同决定了金属在碳纳米管表面的沉积形态.为了使更多金属原子包覆碳纳米管,对于吸附能力强的金属,需要增加沉积过程的环境温度,而对于吸附能力弱的金属,则需要降低沉积过程的环境温度.与此同时,带电金属原子在沉积过程中能够有效促进吸附能力弱的金属原子对碳纳米管表面形成包覆.
The physical process,structure and key factors of the deposition of two typical metal atoms onto carbon nanotubes were studied by molecular dynamics method. A way to improve the coating ability of metal atoms on the surface of carbon nanotubes was proposed. The results showed that the adsorption of carbon nanotubes on metals and the polymerization of metals determined the deposition of metal on the surface of carbon nanotubes. In order to make carbon nanotubes coated with more metal atoms,the deposition temperature should be increased for the metal with strong adsorption capability,while the deposition temperature should be at low temperature for the metal with weak adsorption. Moreover,the charged metal atoms could effectively promote the deposition of metal atoms with weak adsorptive capability onto carbon nanotubes.
The physical process,structure and key factors of the deposition of two typical metal atoms onto carbon nanotubes were studied by molecular dynamics method. A way to improve the coating ability of metal atoms on the surface of carbon nanotubes was proposed. The results showed that the adsorption of carbon nanotubes on metals and the polymerization of metals determined the deposition of metal on the surface of carbon nanotubes. In order to make carbon nanotubes coated with more metal atoms,the deposition temperature should be increased for the metal with strong adsorption capability,while the deposition temperature should be at low temperature for the metal with weak adsorption. Moreover,the charged metal atoms could effectively promote the deposition of metal atoms with weak adsorptive capability onto carbon nanotubes.
引文
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[23] SUAREZ-MARTINEZ I,FELTEN A,PIREAUX J J,et al. Transition metal deposition on graphene and carbon nanotubes[J].J Nanosci Nanotechnol,2009,9(10):6171-6175.
[2]刘力俊,张志勇.碳纳米管场效应晶体管:现状和未来[J].中国科学(物理学力学天文学),2016,46(10):107305.
[3]李敏,王绍凯,顾轶卓,等.碳纳米管有序增强体及其复合材料研究进展[J].航空学报,2014,35(10):2699-2721.
[4]易健宏,杨平,沈韬.碳纳米管增强金属基复合材料电学性能研究进展[J].复合材料学报,2016,33(4):689-703.
[5]田娟娟,李再久,张吉明,等.碳纳米管增强金属基复合材料摩擦学性能的研究进展[J].热加工工艺,2017,46(8):23-26.
[6]丁瑞华.碳纳米管增强金属基复合材料的研究现状[J].热加工工艺,2017,46(14):11-14.
[7]张洁,陈俞霖,朱永.碳纳米管和金属纳米粒子复合结构的拉曼光谱特性[J].中国激光,2012,39(11):225-228.
[8]张蛟.碳纳米管与Ag金属相结合的方法:中国,104966909A[P]. 2015-07-08.
[9]赵波.碳纳米管与金属的焊接及复合材料研究[D].上海:上海交通大学,2009.
[10]廖亨友.碳纳米管与金属互连材料的界面行为研究[D].武汉:华中科技大学,2013.
[11]任晓娜.以介孔碳纳米管为模板制备钨纳米线及纳米碳化钨的研究[D].北京:北京科技大学,2017.
[12]樊志琴,姚宁,杨仕娥,等.不锈钢衬底碳纳米管薄膜的场发射特性[J].郑州大学学报(理学版),2004,36(2):45-49.
[13]宋晓辉,乔彦超,赵华东.金属纳米颗粒对碳纳米管表面浸润特性的研究[J].郑州大学学报(理学版),2018,50(1):95-98.
[14] PLIMPTON S. Fast parallel algorithms for short-range molecular dynamics[J]. J Comp Phys,1995,117(1):1-19.
[15] DAW M S,BASKES M I. Semiempirical,quantum mechanical calculation of hydrogen embrittlement in metals[J]. Phys Rev Lett,1983,50(17):1285-1288.
[16] FOILES S M,BASKES M I,DAW M S. Embedded-atom-method functions for the fcc metals Cu,Ag,Au,Ni,Pd,Pt,and their alloys[J]. Phys Rev B,1986,33(12):7984-7991.
[17] ARCIDIACONO S,WALTHER J H,POULIKAKOS D,et al. Solidification of gold nanoparticles in carbon nanotubes[J]. Phys Rev Lett,2005,94(10):105502.
[18] SUBRAMANIAN K R S,SANKARANARAYANAN V R B,BABU J. Molecular dynamics simulations of the structural and dynamic properties of graphite-supported bimetallic transition metal clusters[J]. Phys Rev B,2005,72(19):195405.
[19] STUART S J,TUTEIN A B,HARRISON J A. A reactive potential for hydrocarbons with intermolecular interactions[J]. J Chem Phys,2000,112(14):6472-6486.
[20] APOSTOL M,CUNE L C. Molecular dynamics in high electric fields[J]. Chem Phys,2016,472:262-269.
[21] VESKE M,PARVIAINEN S,ZADIN V,et al. Electrodynamics-molecular dynamics simulations of the stability of Cu nanotips under high electric field[J]. J Phys Appl Phys,2016,49(21):215301.
[22] ZHANG Y,FRANKLIN N W,CHEN R J,et al. Metal coating on suspended carbon nanotubes and its implication to metal-tube interaction[J]. Chem Phys Lett,2000,331(1):35-41.
[23] SUAREZ-MARTINEZ I,FELTEN A,PIREAUX J J,et al. Transition metal deposition on graphene and carbon nanotubes[J].J Nanosci Nanotechnol,2009,9(10):6171-6175.
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