Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes

	Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes
	Wu, HL ; Qiu, HS ; Hao, C ; Tang, ZN ; Han, K
刊名	journal of molecular structure-theochem
	2004-09-27
卷号	684 期号:1-3 页码:75-80
关键词	Y-junction carbon nanotube H-2 storage molecular dynamics simulations molecular mechanics calculations
英文摘要	the simulation studies of hydrogen adsorption in three types of ideal y-junction carbon nanotubes (y-cnts) with open ends were carried out using molecular dynamics simulations and molecular mechanics calculations. the results show that the physisorption of hydrogen in y-cnts is very limited and far from the target set by doe for hydrogen storage and transportation, implying that it is unlikely to achieve high hydrogen storage in open-ended y-cnts via physisorption scheme. 0 2004 elsevier b.v. all rights reserved.
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, physical
研究领域[WOS]	chemistry
关键词[WOS]	storage ; simulation ; rectification
收录类别	SCI
语种	英语
WOS记录号	WOS:000224720400011
公开日期	2015-11-10
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/139473]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Dalian Univ Technol, Carbon Res Lab, Sch Chem Engn, Ctr Nano Mat & Sci,State Key Lab Fine Chem, Dalian 116012, Peoples R China 2.Dalian Univ Technol, Dept Elect Engn, Dalian 116023, Peoples R China 3.CAS, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Wu, HL,Qiu, HS,Hao, C,et al. Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes[J]. journal of molecular structure-theochem,2004,684(1-3):75-80.
APA	Wu, HL,Qiu, HS,Hao, C,Tang, ZN,&Han, K.(2004).Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes.journal of molecular structure-theochem,684(1-3),75-80.
MLA	Wu, HL,et al."Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes".journal of molecular structure-theochem 684.1-3(2004):75-80.