• 文献标题:   Adsorption of formaldehyde on graphene and graphyne
  • 文献类型:   Article
  • 作  者:   MAJIDI R, KARAMI AR
  • 作者关键词:   formaldehyde, graphyne, graphene, electronic property, density functional theory
  • 出版物名称:   PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES
  • ISSN:   1386-9477 EI 1873-1759
  • 通讯作者地址:   Shahid Rajaee Teacher Training Univ
  • 被引频次:   37
  • DOI:   10.1016/j.physe.2014.01.019
  • 出版年:   2014

▎ 摘  要

The adsorption of formaldehyde on graphene and graphyne was investigated to search high sensitivity sensors for detection of formaldehyde. We have used density functional theory to study the effect of formaldehyde on the electronic properties of graphene and graphyne. It is found that formaldehyde is physisorbed on the graphene and graphyne with small binding energy, large binding distance, and small charge transfer. The calculations also indicate that formaldehyde adsorption modifies the electronic properties of semimetallic graphene, alpha-graphyne, and beta-graphyne and semiconducting gamma-graphyne. The graphene and graphyne show semiconducting property in the presence of formaldehyde. The effect of formaldehyde on the electronic properties of graphene and graphyne suggests the potential application of these carbon nanomaterials for formaldehyde detection. (C) 2014 Elsevier B.V. All rights reserved.