• 文献标题:   Field-induced semiconductor-metal transition of hybrid ZnO and graphene nanocomposites
  • 文献类型:   Article
  • 作  者:   LI HF, QU ZM, XIE Z, CHEN YZ
  • 作者关键词:   graphene, nanocomposite, electronic band structure, schottky ohmic contact, electric field
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1016/j.commatsci.2021.111138
  • 出版年:   2022

▎ 摘  要

In this study, structural and electronic properties of two-dimensional hybrid ZnO/graphene (ZnO/G) and ZnO/ graphene/graphene (ZnO/G/G) nanocomposites are investigated based on first-principles calculations. The calculation indicates that interlayers of the two nanocomposites exist typical van der Waals (vdW) weak interactions. The intrinsic electronic properties of ZnO and graphene monolayer are well-conserved, and the deposition on ZnO substrate opens a band gap of graphene at the Dirac point. When electric fields are applied, the ZnO/G nanocomposites exhibits semiconducting to metallic transition. The transition between Schottky and Ohmic contacts can be effectively implemented, accompanied by the conversion of p-type and n-type Schottky. Meanwhile, the projected density of states and work function of ZnO/G are deeply investigated to discuss the effects of orbital and charge transfer. Compared to ZnO/G, ZnO/G/G would overcome the lower Schottky barrier height (SBH) to form Ohmic contacts, indicating a higher sensitivity to electric field modulation. The formation of low-resistance Ohmic contact has important application for high-performance semiconductor devices.