| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1544532 | Physica E: Low-dimensional Systems and Nanostructures | 2014 | 5 Pages |
•Effect of formaldehyde on electronic properties of graphene and graphyne is studied.•Formaldehyde is physisorbed on graphene and graphyne.•Charge is transferred from formaldehyde to graphene and graphyne sheets.•The n-type semiconductors are obtained via formaldehyde adsorption.•Graphene and graphyne are proper candidates for formaldehyde detection.
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, α-graphyne, and β-graphyne and semiconducting γ-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.
Graphical abstractWe have studied adsorption of formaldehyde on graphene and graphyne using density functional theory. The electronic properties of these nanomaterials are sensitive to the presence of formaldehyde.Figure optionsDownload full-size imageDownload as PowerPoint slide
