【摘要】 二硫化钼（MoS₂）作为新兴的类石墨烯二维材料,具有层状结构、天然的带隙、大的比表面积等优异的物理化学特性,是制作新型高灵敏度气敏传感器的理想材料.利用密度泛函与非平衡态格林函数相结合的方法,研究了吸附NO₂对MoS₂纳米带输运性质的影响.研究发现吸附了NO₂的MoS₂纳米带在偏压小于0.5 V时电流一直为0 A,与未吸附NO₂的MoS₂纳米带输运性质相比,表现出较大的差异性.这表明MoS₂纳米带在NO₂气体传感器上有着良好的应用前景.更多还原

【Abstract】 As an emerging graphene-like two-dimensional material, MoS₂ has excellent physical and chemical properties such as layered structure, natural band gap, and large specific surface area. It is an ideal material for making new high-sensitivity gas sensors.In this work, a combination of density functional theory and non-equilibrium Green’s function was used to study transport properties of MoS₂ nanoribbons adsorbed NO₂. It found that the current of MoS₂ nanoribbons that adsorbed NO₂ is always zero when the bias voltage is less than 0.5 V, which shows a greater difference in the transport properties of MoS₂ nanoribbons without NO₂. The results show that MoS₂ nanoribbons are potential materials for NO₂ gas sensor.更多还原