摘要
由于石墨烯的二维结构以及其超高的比表面积,因此石墨烯可以感应到一个分子量级的变化,这使得其在气体传感方面具有很大的优势.文章通过计算和分析了石墨烯与二氧化氮的系统的能带结构,态密度和电荷分布情况来说明石墨烯吸附二氧化氮后的特性变化.这有助于进一步了解了石墨烯的特性,同时进一步推动石墨烯传感的发展.
Graphene can sense even a molecule＇ s change due to its unique two - dimensional structure with high specific surface area. Through the calculation and analysis, we have studied properties of graphene. And the band structure, charge distribution and DOS of the molecule - graphene adsorption systems are calculated to verify the effects of the adsorption of nitrogen dioxide （NO2） molecule on the graphene＇ s electronic properties. The results support our idea, these works would contribute to understand the properties of the graphene and provide an idea of graphene based NO2 gas sensor.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2015年第4期681-685,共5页
Journal of Atomic and Molecular Physics
基金
深圳市知识创新计划项目(JCYJ20130329142116637)
关键词
石墨烯
密度泛函
二氧化氮
吸附
Graphene
Density functional theory
Nitrogen dioxide
Adsorption
