Multilayer Graphene Sheet with Conical Nanopores as a Membrane for High-Permeance Molecular Separation,The Journal of Physical Chemistry C

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Multilayer Graphene Sheet with Conical Nanopores as a Membrane for High-Permeance Molecular Separation
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2021-02-02 , DOI: 10.1021/acs.jpcc.0c10717
Chengzhen Sun ₁ , Runfeng Zhou ₁ , Bofeng Bai ₁ , Yuansheng Lin ₂ , Bangming Li ₂

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Mitigating leaks through permeable defects by stacking graphene layers would greatly reduce the molecular permeance through porous graphene membranes for gas separation. We propose a multilayer graphene membrane with conical nanopores which instead presents an ultrahigh molecular permeance even higher than those of single-layer graphene membranes. Comparison with existing experimental data also shows that such membranes present an excellent separation performance in the aspect of molecular permeance. The highly permeable conical nanopore is particularly promising for the strongly adsorbed gases on the graphene surface, such as CO₂ and H₂S. The underlying mechanisms are revealed by using molecular dynamics simulations, including (1) a large permeable area in the penetration side and (2) low permeation resistance caused by molecular bouncing in the nanopore for finding a possibility of permeation. The proposed conical nanopore can not only improve the molecular permeance through the defect-free and easy-fabricated multilayer graphene membranes but also provide a good example for the applications involving molecular permeation through nanopores.

中文翻译：

锥形纳米孔作为膜的多层石墨烯片用于高通量分子分离

通过堆叠石墨烯层来缓解由于渗透性缺陷引起的泄漏，将大大降低通过多孔石墨烯膜进行气体分离的分子渗透率。我们提出了具有圆锥形纳米孔的多层石墨烯膜，其呈现出甚至比单层石墨烯膜更高的超高分子渗透率。与现有实验数据的比较还表明，这种膜在分子渗透性方面表现出优异的分离性能。对于石墨烯表面上的强吸附气体（例如CO ₂和H _2），高渗透性锥形纳米孔特别有前途S.通过分子动力学模拟揭示了潜在的机制，包括（1）渗透侧的大渗透面积，以及（2）纳米孔中分子反弹引起的低渗透阻力，以发现渗透的可能性。所提出的圆锥形纳米孔不仅可以改善无缺陷且易于制造的多层石墨烯膜的分子渗透性，而且可以为涉及通过纳米孔的分子渗透的应用提供一个很好的例子。

更新日期：2021-02-11

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