Hydrogen Peroxide Adsorption on Graphene with Stone-Wales Defect

• Main Authors: R. Majidi, A. R. Karami
• Format: Article
• Language: English
• Published: Nanoscience and Nanotechnology Research Center, University of Kashan 2014-01-01
• Series: Journal of Nanostructures
• Subjects: Hydrogen peroxide; Stone-Wales defect; Density functional theory; Electronic property
• Online Access: http://jns.kashanu.ac.ir/article_6072_8e95380a59a619076d2beb9211774b27.pdf
• ISSN: 2251-7871; 2251-788X

To explore the possibility of using graphene based biosensor, adsorption of hydrogen peroxide on graphene has been investigated using density functional theory. The electronic properties of defect free and defective graphene in the presence of different number of hydrogen peroxide have been studied. The graphene with the most stable configuration defect named as SW defect is considered. The high adsorption energies indicate chemisorption of hydrogen peroxide on graphene. It is found that defect free graphene exhibits semimetallic behavior, while graphene with Stone-Wales defect shows semiconducting property. The charge is transferred from hydrogen peroxide to graphene. At low concentration of this donor molecule, defect free and defective graphene become n-type semiconductors. The energy band gap is decreased and metallic behavior is observed in graphene by increasing the number of hydrogen peroxide. The sensitivity of the electronic property of graphene to the presence of hydrogen peroxide suggests that these nanostructures are good choice to design biosensor for hydrogen peroxide detection.