Water desalination with a single-layer MoS2 nanopore.
Water desalination with a single-layer MoS2 nanopore.
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DOI：
10.1038/ncomms9616
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发表时间：
2015-10-14
影响因子：
16.6
通讯作者：
Aluru NR
中科院分区：
文献类型：
--
作者：
Heiranian M;Farimani AB;Aluru NR
水的有效脱盐仍然是社会面临的一个问题。纳米技术的进步导致了各种用于水净化的纳米多孔膜的开发。在这里，我们通过进行分子动力学模拟表明，单层二硫化钼中的纳米孔可以有效地排斥离子并允许水的高速传输。超过88%的离子被具有20至60 μ 2的孔面积的膜排斥。发现水通量比其他已知的纳米多孔膜大两到五个数量级。孔隙化学被证明在调节水通量中起着重要作用。在其边缘上仅具有钼原子的孔导致更高的通量，其比石墨烯纳米孔的通量大约70%。这些观察结果解释了渗透系数，能量障碍，水的密度和速度分布在孔隙中。 二维材料中的纳米孔作为过滤膜来解决向不断增长的人口提供淡水的问题引起了相当大的兴趣。在这里，作者评估了单层MoS2在保持高流速的同时有效排斥盐离子的潜力。
Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 Å2. Water flux is found to be two to five orders of magnitude greater than that of other known nanoporous membranes. Pore chemistry is shown to play a significant role in modulating the water flux. Pores with only molybdenum atoms on their edges lead to higher fluxes, which are ∼70% greater than that of graphene nanopores. These observations are explained by permeation coefficients, energy barriers, water density and velocity distributions in the pores. Nanopores in two-dimensional materials are arousing considerable interest as filtration membranes to solve the problem of providing fresh water to a growing population. Here, the authors evaluate the potential of single-layer MoS2 to effectively reject salt ions whilst maintaining high flow rates.