• 文献标题:   Amorphous graphene: a constituent part of low density amorphous carbon
  • 文献类型:   Article
  • 作  者:   BHATTARAI B, BISWAS P, ATTAFYNN R, DRABOLD DA
  • 作者关键词:  
  • 出版物名称:   PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • ISSN:   1463-9076 EI 1463-9084
  • 通讯作者地址:   Ohio Univ
  • 被引频次:   1
  • DOI:   10.1039/c8cp02545b
  • 出版年:   2018

▎ 摘  要

In this paper, we provide evidence that low density nano-porous amorphous carbon (a-C) consists of interconnected regions of amorphous graphene (a-G). We include experimental information in producing models, while retaining the power and accuracy of ab initio methods with no biasing assumptions. Our models are highly disordered with predominant sp(2) bonding and ring connectivity mainly of sizes 5-8. The structural, dynamical and electronic signatures of our 3-D amorphous graphene are similar to those of monolayer amorphous graphene. We predict an extended x-ray absorption fine structure (EXAFS) signature of amorphous graphene. Electronic density of states calculations for 3-D amorphous graphene reveal similarity to monolayer amorphous graphene and the system is non conducting.