首页> 外文会议>International Conference on Condensed Matter and Applied Physics >Effect of nitrogen doping on the electronic properties of graphene nanoribbon
【24h】

Effect of nitrogen doping on the electronic properties of graphene nanoribbon

机译:氮气掺杂对石墨烯纳米电子性能的影响

获取原文

摘要

The electronic properties of zigzag graphene nanoribbons (ZGNR) with 8-zigzag edges and hydrogen capping containing nitrogen as substitutional impurity were performed using ab initio density functional theory. Band structures for pristine ZGNR and nitrogen doped ZGNR have been compared. The results indicate that, in zigzag edged graphene nanoribbons, the band gap can be opened duo to the spin-up or spin-down charges when performed under spin polarized calculation. The spin splitting energy in the present case is about 0.5eV. If the system is doped with nitrogen atom, the spin degeneracy splitting is clearly visible with an introduction of impurity level above the donor level. It is expected that the study will provide a brief explanation of the band structure of graphene nanoribbon with or without doping.
机译:使用AB初始密度函数理论进行ZigAg石墨烯纳米与8- Z字形边缘和含氮作为取代杂质的氢气封端的Z字形石墨烯纳米和氢气封装的电子性质。 已经比较了原始ZgNR和氮气掺杂ZGNR的带状结构。 结果表明,在Z字形边缘的石墨烯纳米杆中,在自旋极化计算下执行时,可以将带隙打开到旋转或旋转电荷。 本案例中的自旋分裂能量约为0.5eV。 如果该系统掺杂有氮原子,则通过引入供体水平的杂质水平显而易见的旋转退化分裂。 预计该研究将在有或不掺杂的石墨烯纳米带的条带结构简要说明。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号