物理学报2009，Vol.58Issue(11)：7852-7856,5.
碳纳米锥电子场发射的第一性原理研究
First-principles study on field emission properties of carbon nanocone
摘要
Abstract
The first-principles calculation was performed to study the electron field emission properties of carbon nauocones (CNC) with different cone angles and geometrical structures. The results show that with the increase of the applied electric field (E_(add)), the electronic structure of CNC changes significantly, the density of states (DOS) shifts towards to low energy position. Especially, DOS at E_f increases and the pseudogap decreases respectively, and a majority of electrons congregate at the close end. The investigation of DOS, HOMO/LUMO and Mulliken population analysis indicates that CNC3 and CNC4 are very suited for electron field emission.关键词
碳纳米锥/电子场发射/第一性原理Key words
carbon nanocone/electron field emission/first-principles分类
化学化工引用本文复制引用
王六定,陈国栋,张教强,杨敏,王益军,安博..碳纳米锥电子场发射的第一性原理研究[J].物理学报,2009,58(11):7852-7856,5.基金项目
国家自然科学基金(批准号:50771082,60776822)和西北工业大学研究生创业种子基金(批准号:200863)资助的课题.Project supported by the National Natural Science Foundation of China (Grand Nos. 50771082 and 60776822) and the Graduate Starting Seed Fund of Northwestern Polytechnical University (Grand No. 200863). （批准号:50771082,60776822）
