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首页> 外文期刊>Advanced Materials >Stone-Wales Defects Cause High Proton Permeability and Isotope Selectivity of Single-Layer Graphene
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Stone-Wales Defects Cause High Proton Permeability and Isotope Selectivity of Single-Layer Graphene

机译：石威尔士缺陷导致单层石墨烯的质子渗透性高，同位素选择性

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摘要

While the isotope-dependent hydrogen permeability of graphene membranes at ambient condition has been demonstrated, the underlying mechanism has been controversially discussed during the past 5 years. The reported room-temperature proton-over-deuteron (H+-over-D+) selectivity is 10, much higher than in any competing method. Yet, it has not been understood how protons can penetrate through graphene membranes-proposed hypotheses include atomic defects and local hydrogenation. However, neither can explain both the high permeability and high selectivity of the atomically thin membranes. Here, it is confirmed that ideal graphene is quasi-impermeable to protons, yet the most common defect in sp(2)carbons, the topological Stone-Wales defect, has a calculated penetration barrier below 1 eV and H+-over-D(+)selectivity of 7 at room temperature and, thus, explains all experimental results on graphene membranes that are available to date. The competing explanation, local hydrogenation, which also reduces the penetration barrier, but shows significantly lower isotope selectivity, is challenged.
机译：虽然已经证明了在环境条件下石墨烯膜的同位素依赖性氢渗透性，但在过去的5年中，潜在的机理已经有争议地讨论。报告的房间温度质子过度氘（H + -OV-D +）选择性为10，远高于任何竞争方法。然而，尚未理解质子如何通过石墨烯膜渗透，提出的假设包括原子缺陷和局部氢化。然而，也可以解释原子上薄膜的高渗透性和高选择性。在这里，证实理想的石墨烯是质子的准不可渗透，但SP（2）碳的最常见缺陷，拓扑石威尔士缺陷，具有低于1eV和H + -OV-D的计算渗透屏障（+ ）在室温下的选择性7，因此解释了可用日期的石墨烯膜上的所有实验结果。竞争解释，局部氢化，也降低了渗透屏障，但显示出明显较低的同位素选择性，受到攻击。

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  • 来源
    《Advanced Materials》 |2020年第37期|2002442.1-2002442.6|共6页
  • 作者

    An Yun; Oliveira Augusto F.; Brumme Thomas; Kuc Agnieszka; Heine Thomas;

  • 作者单位

    Helmholtz Zentrum Dresden Rossendorf Abt Ressourcenokol Forsch Stelle Leipzig Permoserstr 15 D-04318 Leipzig Germany|Univ Leipzig Wilhelm Ostwald Inst Phys & Theoret Chem Linnestr 2 D-04103 Leipzig Germany|Tech Univ Dresden Theoret Chem Mommsenstr 13 D-01062 Dresden Germany;

    Helmholtz Zentrum Dresden Rossendorf Abt Ressourcenokol Forsch Stelle Leipzig Permoserstr 15 D-04318 Leipzig Germany|Tech Univ Dresden Theoret Chem Mommsenstr 13 D-01062 Dresden Germany;

    Univ Leipzig Wilhelm Ostwald Inst Phys & Theoret Chem Linnestr 2 D-04103 Leipzig Germany;

    Helmholtz Zentrum Dresden Rossendorf Abt Ressourcenokol Forsch Stelle Leipzig Permoserstr 15 D-04318 Leipzig Germany;

    Helmholtz Zentrum Dresden Rossendorf Abt Ressourcenokol Forsch Stelle Leipzig Permoserstr 15 D-04318 Leipzig Germany|Tech Univ Dresden Theoret Chem Mommsenstr 13 D-01062 Dresden Germany|Yonsei Univ Dept Chem 50 Yonsei Ro Seoul 03722 South Korea;

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  • 正文语种 eng
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  • 关键词

    graphene; quantum tunneling; selectivity; separation of proton isotopes; Stone-Wales defects;

    机译：石墨烯;量子隧道;选择性;质子同位素的分离;石威尔士缺陷;

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