石墨烯与二氧化氮的吸附特性研究  

Adsorption properties of graphene for NO_2

作　　者：林伟豪[1] 高致慧[1] 贺威[1] 杨勇[1] 洪泽华[1] 李金艳[1] 

机构地区：[1]深圳大学电子与技术学院,深圳515000

出　　处：《原子与分子物理学报》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)

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.

关 键 词：石墨烯 密度泛函 二氧化氮 吸附 

分 类 号：O561[理学—原子与分子物理]