...
首页> 外文期刊>Nanotechnology >Semiconducting allotrope of graphene
【24h】

Semiconducting allotrope of graphene

机译:石墨烯的半导体同素异形体

获取原文
获取原文并翻译 | 示例
           

摘要

From first-principles calculations, we predict a planar stable graphene allotrope composed of a periodic array of tetragonal and octagonal (4, 8) carbon rings. The stability of this sheet is predicted from the room-temperature molecular dynamics study and the electronic structure is studied using state-of-the-art calculations such as the hybrid density functional and the GW approach. Moreover, the mechanical properties of (4, 8) carbon sheet are evaluated from the Youngs modulus and intrinsic strength calculations. We find this is a stable planar semiconducting carbon sheet with a bandgap between 0.43 and 1.01eV and whose mechanical properties are as good as graphenes.
机译:通过第一性原理计算,我们预测了由四角形和八角形(4,8)碳环的周期性阵列组成的平面稳定石墨烯同素异形体。该片材的稳定性是通过室温分子动力学研究预测的,并且使用诸如混合密度泛函和GW方法的最新计算研究了电子结构。此外,根据杨氏模量和固有强度计算来评估(4,8)碳板的机械性能。我们发现这是一种稳定的平面半导体碳片,其带隙在0.43和1.01eV之间,其机械性能与石墨烯一样好。

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