Journal of University of Chinese Academy of Sciences >
Effects of diameter and N-doping on oxygen molecule transportation through a nanotube
Received date: 2013-03-21
Revised date: 2013-05-08
Online published: 2014-01-15
We investigate how to control the net flux of oxygen molecule transportation through a carbon nanotube (CNT). We find that the net flux of oxygen molecules in a nanotube increases linearly when the diameter of the nanotube becomes big and that an N-doped nanotube has a bigger net flux of oxygen molecules than a pure carbon nanotube.
Key words： flux; free energy; transportation; molecular dynamics
GE Zhenpeng , LI Xiaoyi . Effects of diameter and N-doping on oxygen molecule transportation through a nanotube[J]. Journal of University of Chinese Academy of Sciences, 2014 , 31(1) : 135 -138 . DOI: 10.7523/j.issn.2095-6134.2014.01.020
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