Detection of hydrogen peroxide with graphyne

• Published in: Physica. E, Low-dimensional systems & nanostructures Low-dimensional systems & nanostructures, 2013-12, Vol.54, p.177-180
• Main Authors: Majidi, R., Karami, A.R.
• Format: Article
• Language: English
• Subjects: Biosensor; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Cross-disciplinary physics: materials science; rheology; Density functional theory; Electron states; Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems; Electronic property; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures; Exact sciences and technology; Fullerenes and related materials; diamonds, graphite; General equipment and techniques; Graphyne; Hydrogen peroxide; Instruments, apparatus, components and techniques common to several branches of physics and astronomy; Materials science; Methods of electronic structure calculations; Physics; Sensors (chemical, optical, electrical, movement, gas, etc.); remote sensing; Specific materials
• ISSN: 1386-9477; 1873-1759
• DOI: 10.1016/j.physe.2013.06.029

The effect of hydrogen peroxide on the electronic properties of graphyne has been investigated to explore the possibility of using graphyne based biosensor. We have used density functional theory to study the electronic properties of γ-graphyne in the presence of different number of hydrogen peroxide. The optimal adsorption position, orientation, and distance of hydrogen peroxide adsorbed on the graphyne sheet have been determined by calculating adsorption energy. It is found that γ-graphyne which is an intrinsic semiconductor becomes an n-type semiconductor due to the presence of hydrogen peroxide. The energy band gap of γ-graphyne is decreased by increasing the number of hydrogen peroxide. The results demonstrate that γ-graphyne is a promising candidate for biosensor application because of its electrical sensitivity to hydrogen peroxide. The effect of hydrogen peroxide on the electronic properties of γ-graphyne has been studied using density functional theory. It is found that γ-graphyne which is an intrinsic semiconductor becomes an n-type semiconductor due to the presence of hydrogen peroxide. The electrical conductivity is increased by increasing the number of hydrogen peroxide. The sensitivity of the electronic properties of γ-graphyne to hydrogen peroxide detection demonstrates that γ-graphyne is a proper candidate to design biosensor for hydrogen peroxide detection. [Display omitted] •We have used density functional theory to study the electronic properties of γ-graphyne in the presence of different number of hydrogen peroxide.•The γ-graphyne which is an intrinsic semiconductor becomes an n-type semiconductor due to the presence of hydrogen peroxide.•The energy band gap of γ-graphyne is decreased by increasing the number of hydrogen peroxide.•The γ-graphyne displays metallic properties when the number of hydrogen peroxide molecule is more than eight molecules in every supercell.•The sensitivity of the electronic properties of γ-graphyne demonstrates that γ-graphyne is a proper candidate to design biosensor for hydrogen peroxide detection.