• 文献标题:   Ab initio comparative study of structural and electronic properties of mono- and multi-layer graphene and graphitic ZnO
  • 文献类型:   Article
  • 作  者:   KOUAYDI N, KADDES M, ZEMZEMI M
  • 作者关键词:   graphitic zno, zno monolayer, graphene, graphitic structure, density functional theory dft, electronic propertie
  • 出版物名称:   JOURNAL OF OPTOELECTRONICS ADVANCED MATERIALS
  • ISSN:   1454-4164 EI 1841-7132
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:  
  • 出版年:   2021

▎ 摘  要

Structural and electronic properties of the zinc oxide and the carbon were investigated using first-principle approaches. This work aims to follow the relative stability between wurtzite and graphitic structures of ZnO at a thickness of four layers. Our results prove that the graphitic structure becomes more stable. To validate our study in the passage between mono and multilayer in graphitic ZnO, we have conducting a parallel study on graphene and graphite. The ZnO structures are found to be semiconductor with a direct band gap. The energy band gap increase from wurtzite to graphitic structure by increasing the number of layers.