• 文献标题:   Translocation of alkane through graphene nanopore: A molecular dynamics simulation study
  • 文献类型:   Article
  • 作  者:   LI JY, YANG H, SHENG YZ, ZHAO XT, SUN M
  • 作者关键词:   translocation, graphene, nanopore
  • 出版物名称:   RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • ISSN:   0036-0244 EI 1531-863X
  • 通讯作者地址:   Minist Educ
  • 被引频次:   4
  • DOI:   10.1134/S0036024414120115
  • 出版年:   2015

▎ 摘  要

The process of molecules translocation through nanopore is important to understand many interesting phenomena. Molecular dynamics simulations have been carried out to study the translocation of alkane through graphene nanopore. The results detail relative distance, average translation time, etc. The translocation process can be divided into three stages: finding-entering-moving through the nanopore. Alkane must climb an energy barrier in every stage. The dependence of translocation on chain length is also discussed. Shorter alkanes are easy to transport through the nanopore and the average translocation time is short when alkane translocates through nanopore one by one. Our simulations show a visualized translocation process, which can favor our understanding of this important process.