CAS OpenIR  > 中科院上海应用物理研究所2011-2018年
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
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
ISSN1932-7447
Volume122Issue:22Pages:11807-11813
Subtype期刊论文
AbstractCarbon 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.
KeywordCation-pi Interactions Graphene Oxide Membranes Molecular-dynamics Ion Selectivity Metal Ions Transport Desalination Surface Pores Size
DOI10.1021/acs.jpcc.8b01204
Indexed BySCI
Language英语
WOS IDWOS:000435020300023
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/29039
Collection中科院上海应用物理研究所2011-2018年
Affiliation1.Qin, JY
2.Zhu, BE
3.Liang, SS
4.Guo, P
5.Liu, J
Recommended Citation
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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