• 文献标题:   First-principles theoretical investigation of graphene layers for sensor applications: A review
  • 文献类型:   Article
  • 作  者:   FUJIMOTO Y
  • 作者关键词:   graphene, carbon nanotube, doping, gas adsorption, sensor application, firstprinciples densityfunctional calculation
  • 出版物名称:   NANOMATERIALS NANOTECHNOLOGY
  • ISSN:   1847-9804
  • 通讯作者地址:   Tokyo Inst Technol
  • 被引频次:   1
  • DOI:   10.1177/1847980417737645
  • 出版年:   2017

▎ 摘  要

Graphene is expected to be a potential device material for sensor applications due to its high charge mobility and high sensitivity to adsorbates. This article reviews the first-principles density-functional study that clarifies gas adsorption effects on graphene layers doped with boron and nitrogen atoms. We show adsorption effects of not only common gas molecules but also environmentally polluting or toxic gas molecules on stabilities and structural properties of graphene layers and carbon nanotubes. We also show physical properties induced by the adsorption of the gas molecules and discuss the possibility to detect these gas molecules.