Molecular Simulation of Hydrogen Adsorption Density in Single-Walled Carbon Nanotubes and Multilayer

• 作 者: LianquanGUO ChangxiangMA Shuai
• 机 构: SchoolofSciences,SchoolofSciences,SchoolofSciences,SchoolofBasicCourses
• 出 处: 材料科学技术：英文版
• 发表日期: 2005年1期
• 关键词: 单壁碳纳米管 分子动力学 多分子层吸附 氢储存 Single-walled carbon nanotubes Molecular dynamics Mult
• 基金项目: This work was supported by the Key Program of Science Research，Foundation of the Ministry of Education, Liaoning Province, China

The adsorption of hydrogen onto single-walled carbon nanotubes (SWCNTs) was studied by molecular dynamics (MD)sim.lation. It was found that the hydrogen molecules distribute regularly inside and outside of the tube. Density distribution was computed for H