The development of two-dimensional materials with gas-sensitive properties has been a research focus in the field of materials science. Considering the excellent properties of graphene and hexagonal boron nitride, a monolayer composite is put forward and its potential for gas sensing has been investigated by density functional theory. Compared to common gases in the atmosphere and three other toxic gases, sulfur dioxide tends to have a strong mutual effect with this composite. Together with electronic analyses, it is proved that the composite presents excellent sensitivity toward sulfur dioxide molecules and the conductivity can be used as a vital parameter to diagnose the status of gas sensor. What’s more, a co-adsorption model demonstrates a favorable performance in high moisture working environment. Thus, we can reasonably draw the conclusion that the presented composite could be an eligible candidate for sulfur dioxide gas detection.

中文翻译：

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纳米石墨烯域掺杂的 h-BN 单层复合材料：作为 SO2 气体检测的敏感材料

开发具有气敏特性的二维材料一直是材料科学领域的研究热点。考虑到石墨烯和六方氮化硼的优异性能，提出了一种单层复合材料，并通过密度泛函理论研究了其在气敏方面的潜力。与大气中的常见气体和其他三种有毒气体相比，二氧化硫往往与这种复合材料产生强烈的相互作用。结合电子分析，证明该复合材料对二氧化硫分子具有出色的灵敏度，电导率可作为诊断气体传感器状态的重要参数。更重要的是，共吸附模型在高水分工作环境中表现出良好的性能。因此，