Growth of Hydrogen confined in the single-wall carbon nanotube

摘要：

Growth pattern of the hydrogen molecules(H2) confined in the single-wall carbon nanotubes has been simulated by the classical molecular dynamic methods.Hydrogen molecules are found to condense to multilayer structure during the optimization.Bond energy and potential energy are used to analyze the growth of hydrogen molecules encapsulated in the SWNTS.

作者: Yu Hai-Qing Zhang Jing-Xiang Li Hui Bian Xiu-Fang

作者单位: Key Lab of Liquid Structure and Heredity of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University

会议类型: 国际会议

会议名称: 第四届国际分子模拟与信息技术应用学术会议(The 4th International Conference of Molecular Simulations and Applied Informatics Technologies)

会议地点: 广州

会议语种:英文

页码: 1040-1051

在线出版日期: 2008-11-01（万方平台首次上网日期，不代表论文的发表时间）