渭南师范学院学报2016，Vol.31Issue(16)：14-18,5.
掺氮闭口碳化硅纳米管电子场发射的第一性原理研究
First-principles Study of the Elecrt on Field Emission Properties of Nitrogen-doped Silicon Carbide Nanotubes
摘要
Abstract
The electron field emission performance of SiCNT capped and doped with one nitrogen atom is investigated through the first-principl calculations .The results show that the electronic structures of the systems change obviously .Under the applied e-lectric field, N-doped changes the electronic structure of pristine silicon carbide nanotubes , and the Pseudo gap and the energy gap between the lowest unoccupied molecular orbital and the highest occupied molecular orbital decreases drastically .The investigations of the energy gap between the lowest unoccupied molecular orbital and the highest occupied molecular orbital analysis indicate that eqSiCNT system is more propitious to the electron ’ s field emission than other systems .The doped systems are more excellent on field emission properties than the pristine silicon carbide nanotubes , especially the system in which Si is substituted by N .关键词
氮掺杂/碳化硅纳米管/电子场发射/第一性原理Key words
doped nitrogen atom/silicon carbide nanotubes/electron field emission/first-principles分类
数理科学引用本文复制引用
席彩萍,王六定..掺氮闭口碳化硅纳米管电子场发射的第一性原理研究[J].渭南师范学院学报,2016,31(16):14-18,5.基金项目
陕西省教育厅科研计划项目碳纳米管的制备及其场发射性能的研究（16JK1277）；渭南师范学院科研计划项目碳纳米管的制备及其场发射性能的研究 （）
