Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes
Qin, JY; Zhu, BE; Liang, SS; Guo, P; Liu, J
2018
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
卷号122期号:22页码:11807-11813
文章类型期刊论文
摘要Carbon nanotube (CNT) filter membranes are excellent promising materials for efficient desalination. In our previous studies (Phys. Rev. Lett. 2015, 115, 164502) we showed that Na+ cations in seawater would easily bind at the entrance of the pristine CNT due to cation-pi interaction, resulting in the blocking of water flow through the nanotube. Here, we systematically investigate the binding behavior of ions and blockage effects of water flow in much more chemically realistic CNTs that are functionalized at the ends with various density of hydrophilic OH or hydrophobic -C2H5 groups. Our findings show that hydrophobic -C2H5 groups will weaken the cation-pi interaction between Na+ ions and CNTs, and accordingly, water flows through the CNTs fluently. CNTs functionalized with -C2H5 groups in moderate density are expected to work excellently in desalination application, whereas functionalization with hydrophilic OH groups cannot prevent the blockage of water. This finding brings insights in designing efficient desalination filter materials based on CNT.
关键词Cation-pi Interactions Graphene Oxide Membranes Molecular-dynamics Ion Selectivity Metal Ions Transport Desalination Surface Pores Size
DOI10.1021/acs.jpcc.8b01204
收录类别SCI
语种英语
WOS记录号WOS:000435020300023
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/29039
专题中科院上海应用物理研究所2011-2018年
作者单位1.Qin, JY
2.Zhu, BE
3.Liang, SS
4.Guo, P
5.Liu, J
推荐引用方式
GB/T 7714
Qin, JY,Zhu, BE,Liang, SS,et al. Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2018,122(22):11807-11813.
APA Qin, JY,Zhu, BE,Liang, SS,Guo, P,&Liu, J.(2018).Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes.JOURNAL OF PHYSICAL CHEMISTRY C,122(22),11807-11813.
MLA Qin, JY,et al."Impact of -C2H5 and -OH Functionalizations on the Water Flow Blockage in Carbon Nanotubes".JOURNAL OF PHYSICAL CHEMISTRY C 122.22(2018):11807-11813.
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