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First Author : Kou J

Date of Publication : 2013-01-01

Journal : Journal of Chemical Physics

Affiliation of Author(s) : 数理与信息工程学院

Document Type : 期刊

Volume : Vol.139

Issue : No.6

Page Number : 064705

ISSN : 0021-9606

Key Words : graphene;hydrogen;bonds;membranes;molecular;dynamics;method;monolayers;permeability;water

Abstract : 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 mem

Translation or Not : no