二维硼碳基纳米结构上的吸附及其性质  

Adsorption on Two-dimensional Boron and Carbon Based Nanostructures and Properties

作　　者：林现庆[1] 陈曦[1] 倪军[1] 

机构地区：[1]清华大学物理系量子物质科学协同创新中心低维量子物理国家重点实验室,北京100084

出　　处：《计算物理》2014年第3期253-270,共18页Chinese Journal of Computational Physics

基　　金：国家自然科学基金(11374175;11174171);国家重大科技专项(2008ZX06901);清华信息科学与技术国家实验室资助项目

摘　　要：综述金属原子与非金属原子和分子在石墨烯、BC3平面等二维硼碳基纳米结构上的吸附所表现出的各种物理性质及可能的应用.纯净的石墨烯为零带隙的半金属、无磁且自旋轨道耦合效应非常弱,BC3平面为间接带隙半导体,但金属原子与非金属原子和分子的吸附可能使石墨烯体系在Dirac点处打开带隙、具有强自旋轨道耦合效应,可能使石墨烯体系与二维BC3体系具有磁有序、超导电性及应用在氢存储上.另外石墨烯表现出非常好的分子探测性能.We review physical properties and potential applications of two？dimensional boron and carbon based nanostructures such as graphene and BC3 sheet adsorbed with metal atoms, non-metal atoms or molecules. Pristine graphene is semi？metallic with zero band gap, which is nonmagnetic and has weak spin orbit coupling （SOC）. BC3 sheet is a semiconductor with an indirect band gap. As graphene and BC3 sheet are adsorbed with metal atoms, non？metal atoms or molecules, graphene systems may have a band gap at Dirac point, strong SOC, magnetic order and superconductivity. Applications in hydrogen storage may be realized in graphene and BC3 systems. In addition, it has been demonstrated that graphene can be used as gas sensors with significantly high precision.

关 键 词：硼碳基纳米结构 金属原子吸附 非金属原子和分子吸附 吸附稳定性 吸附体系电子结构 

分 类 号：O485[理学—固体物理]