Nitrogen-doped graphene as an excellent candidate for selective gas sensing
Nitrogen-doped graphene as an excellent candidate for selective gas sensing
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DOI：
10.1007/s11426-014-5066-2
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
Congcong Ma;Xiaohong Shao;D. Cao
中科院分区：
文献类型：
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作者：
Congcong Ma;Xiaohong Shao;D. Cao
CO、NO等有毒气体对人体健康危害极大，微量甚至可导致人畜死亡。因此，研制能够实时监测这些有毒气体的传感器是十分必要的。在这项工作中，我们使用第一性原理计算来研究气体在有缺陷的石墨烯纳米片上的吸附，以寻求适合于CO传感的材料。结果表明，钒化石墨烯不能选择性地检测空气中的CO，因为空气中的O2会干扰石墨烯对CO的检测信号;而氮掺杂石墨烯是一种选择性检测空气中CO的理想材料，因为只有CO可以化学吸附在氮掺杂的吡啶类石墨烯上，并伴随着大量的电荷转移，这可以作为一种有用的电子信号用于CO的检测.即使在NO存在的环境中，N掺杂石墨烯也可以选择性地检测CO。因此，N掺杂石墨烯是一种优良的CO选择性传感材料，为CO传感器的设计和制备提供了有用的信息。
The toxic gases, such as CO and NO, are highly dangerous to human health and even cause the death of person and animals in a tiny amount. Therefore, it is very necessary to develop the toxic gas sensors that can instantly monitor these gases. In this work, we have used the first-principles calculations to investigate adsorption of gases on defective graphene nanosheets to seek a suitable material for CO sensing. Result indicates that the vancancy graphene can not selectivly sense CO from air, because O2in air would disturb the sensing signals of graphene for CO, while the nitrogen-doped graphene is an excellent candidate for selectivly sensing CO from air, because only CO can be chemisorbed on the pyridinic-like N-doped graphene accompanying with a large charge transfer, which can serve as a useful electronic signal for CO sensing. Even in the environment with NO, the N-doped graphene can also detect CO selectively. Therefore, the N-doped graphene is an excellent material for selectively sensing CO, which provides useful information for the design and fabrication of the CO sensors.