Recent Developments in Graphene-Based Toxic Gas Sensors: A Theoretical Overview.
Recent Developments in Graphene-Based Toxic Gas Sensors: A Theoretical Overview.
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DOI：
10.3390/s21061992
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发表时间：
2021-03-11
期刊：
影响因子：
--
通讯作者：
Medina DI
中科院分区：
文献类型：
--
作者：
Cruz-Martínez H;Rojas-Chávez H;Montejo-Alvaro F;Peña-Castañeda YA;Matadamas-Ortiz PT;Medina DI
检测和监测一氧化碳(CO)、氮氧化物(NOx)和硫氧化物(SOx)等空气污染气体至关重要，因为这些气体是有毒的，危害生态系统和人类健康。因此，有必要设计高性能的气体传感器来检测有毒气体。从这个意义上说，基于石墨烯的材料很有希望用作有毒气体传感器。除了实验研究，第一原理方法使基于石墨烯的传感器设计取得了突飞猛进的进展。本文用第一性原理方法对石墨烯类有毒气体传感器进行了详细的分析。对石墨烯的修饰、缺陷和掺杂等改进措施进行了修订和分析，以提高对NOx、SOx和CO有毒气体的检测。一般来说，用过渡金属、缺陷石墨烯和掺杂石墨烯修饰的石墨烯对有毒气体具有比原始石墨烯更高的敏感性。这篇综述显示了利用第一性原理研究设计新型高效有毒气体传感器的相关性。到目前为止所获得的理论结果可以极大地帮助实验小组设计新型高效的石墨烯有毒气体传感器。
Detecting and monitoring air-polluting gases such as carbon monoxide (CO), nitrogen oxides (NOx), and sulfur oxides (SOx) are critical, as these gases are toxic and harm the ecosystem and the human health. Therefore, it is necessary to design high-performance gas sensors for toxic gas detection. In this sense, graphene-based materials are promising for use as toxic gas sensors. In addition to experimental investigations, first-principle methods have enabled graphene-based sensor design to progress by leaps and bounds. This review presents a detailed analysis of graphene-based toxic gas sensors by using first-principle methods. The modifications made to graphene, such as decorated, defective, and doped to improve the detection of NOx, SOx, and CO toxic gases are revised and analyzed. In general, graphene decorated with transition metals, defective graphene, and doped graphene have a higher sensibility toward the toxic gases than pristine graphene. This review shows the relevance of using first-principle studies for the design of novel and efficient toxic gas sensors. The theoretical results obtained to date can greatly help experimental groups to design novel and efficient graphene-based toxic gas sensors.
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