%0 Journal Article
%T First-principles study of electron field emission from the carbon nanotube with B doping and H2O adsorption<br>掺硼水吸附碳纳米管电子场发射性能的第一性原理研究
%A Chen Guo-Dong
%A Wang Liu-Ding
%A Zhang Jiao-Qiang
%A Cao De-Cai
%A An Bo
%A Ding Fu-Cai
%A Liang Jin-Kui
%A <br>陈国栋
%A 王六定
%A 张教强
%A 曹得财
%A 安 博
%A 丁富才
%A 梁锦奎
%J 物理学报
%D 2008
%I 
%X The electron field emission performance of CNT doped with one Boron atom and with one adsorbed H2O molecular (BCNT+H2O) was investigated through the calculations of density functional theory (DFT) in this paper. The results indicated that there is an atomic scale region of electron congregation near the top of BCNT+H2O, and the electronic density of states (DOS) round the Fermi level is enhanced obviously. It is expected that BCNT+H2O be suitable for the field emission of electrons,judging from the calculation results of DOS, HOMO/LUMO and Mulliken charge population.
%K boron doped carbon nanotube
%K adsorption
%K density functional theory
%K electron field emission<br>掺硼碳纳米管
%K 吸附
%K 密度泛函理论
%K 电子场发射
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=2A1F781C363367D8BC6E62817437B60E&yid=67289AFF6305E306&vid=11B4E5CC8CDD3201&iid=708DD6B15D2464E8&sid=44230CAA54784A09&eid=63C07AE1D7A8DE28&journal_id=1000-3290&journal_name=物理学报&referenced_num=1&reference_num=0