• 主题
高级搜索  >
历史搜索 清空历史
首页> 中文期刊> 《结构化学》 >Theoretical Investigation on Self-passivation in Bare Zigzag Phosphorene Nanoribbons

Theoretical Investigation on Self-passivation in Bare Zigzag Phosphorene Nanoribbons

         
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Several bare zigzag phosphorene nanoribbons with odd number of atoms in the direction perpendicular to the extended line are investigated by using HSE06 density functional theory.These nanoribbons are as stable as those with even number of atoms.Primitive cells of the nanoribbons are metals,while edge self-passivation and distortion in the supercell structures cause metal-semiconductor transition.The band gaps of semiconducting nanoribbons are around 0.4 eV,which is enough for high on/off ratio in device operation.Compared to the conduction bands,the valence bands have smaller deformation potential constants and larger band width.Thus,the hole mobilities of the nanoribbons(10 cm^2·V^(-1)·s^(-1)) are one order higher than the electron mobilities.Bare zigzag phosphorene nanoribbons with odd number of atoms can also be candidates for small-size high-speed electronic devices.

著录项

  • 来源
    《结构化学》 |2016年第2期|185-192|共8页
  • 作者

    WANG Guo; ZHANG Xiao-Han; ZHAO Tian-Tian; GE Hong-Yu;

  • 作者单位

    Department of Chemistry, Capital Normal University, Beijing 100048, China;

    Department of Chemistry, Capital Normal University, Beijing 100048, China;

    Department of Chemistry, Capital Normal University, Beijing 100048, China;

    Department of Chemistry, Capital Normal University, Beijing 100048, China;

  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

相似文献

  • 中文文献
  • 外文文献
  • 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