Water permeation through single-layer graphyne membrane

被引：58

作者：

Kou, Jianlong ^{[1
]}

Zhou, Xiaoyan ^{[1
,2
,3
]}

Chen, Yanyan ^{[1
]}

Lu, Hangjun ^{[1
]}

Wu, Fengmin ^{[1
,2
,3
]}

Fan, Jintu ^{[4
]}

机构：

[1] Zhejiang Normal Univ, Inst Condensed Matter Phys, Jinhua 321004, Peoples R China

[2] Shanxi Univ, Dept Phys, Taiyuan 030006, Peoples R China

[3] Shanxi Univ, Inst Theoret Phys, Taiyuan 030006, Peoples R China

[4] Cornell Univ, Dept Fiber Sci & Apparel Design, Ithaca, NY 14853 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2013年 / 139卷 / 06期

基金：

中国国家自然科学基金;

关键词：

CARBON NANOTUBE MEMBRANES; MOLECULAR-DYNAMICS; CARRIER MOBILITY; GRAPHDIYNE; TRANSPORT; GRAPHENE; CHANNEL; DESALINATION; DEHYDROBENZOANNULENES; SUBSTRUCTURES;

D O I：

10.1063/1.4817596

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report the molecular dynamics simulations of spontaneous and continuous permeation of water molecules through a single-layer graphyne-3 membrane. We found that the graphyne-3 membrane is more permeable to water molecules than (5, 5) carbon nanotube membranes of similar pore diameter. The remarkable hydraulic permeability of the single-layer graphyne-3 membrane is attributed to the hydrogen bond formation, which connects the water molecules on both sides of the monolayer graphyne-3 membrane and aids to overcome the resistance of the nanopores, and to the relatively lower energy barrier at the pore entrance. Consequently, the single-layer graphyne-3 membrane has a great potential for application as membranes for desalination of sea water, filtration of polluted water, etc. (C) 2013 AIP Publishing LLC.

引用

页数：6

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