中国科学院研究生院学报2012，Vol.29Issue(3)：312-315,4.
钻孔石墨烯用于氢气和氮气分离的分子动力学模拟
Molecular dynamics simulations for separation of H2/N2 by porous graphene
摘要
Abstract
We designed a series of porous graphene by drilling different numbers of carbon atom.Molecular dynamics simulations indicate that hydrogen and nitrogen could be separated effectively by porous graphene.The selectivity of hydrogen and nitrogen achieves 100％ when the pore size is 0.3725 nm with ten atoms dug.Porous graphene is expected to have potential applications in gas separation and purification.关键词
石墨烯/分子动力学模拟/氢气分离Key words
graphene/ molecular dynamics simulation/ hydrogen separation分类
化学引用本文复制引用
杜怀亮,李晓毅..钻孔石墨烯用于氢气和氮气分离的分子动力学模拟[J].中国科学院研究生院学报,2012,29(3):312-315,4.基金项目
Supported by the National Natural Science Foundation of China(21144001),and the Knowledge Innovation Program of Chinese Academy of Sciences （21144001）
