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Detection of nucleobases using 2D germanane nanosheet: A first-principles study
- Source :
- Computational and Theoretical Chemistry. 1130:68-76
- Publication Year :
- 2018
- Publisher :
- Elsevier BV, 2018.
-
Abstract
- The electronic properties and geometric stability of germanane nanosheet is explored using first-principle studies. The germanane nanosheet exhibits semiconducting properties and stability of germanane sheet is ensured with formation energy. The adsorption behavior of deoxyribo nucleic acid (DNA)/ribo nucleic acid (RNA) nucleobases on monolayer germanane nanosheet have been investigated using density functional theory with van der Waals dispersion correction. The adsorption of nucleobases is found to be physisorbed on germanane nanosheet with the van der Waals type of interaction. The order of adsorption of nucleobases with germanane nanosheet is known to be C > G > A > T > U. We observed the changes in the energy band structure and the density of states variation due to the adsorption of nucleobases on germanane nanosheet. Our results confirm that apart from graphene, germanane monolayer can be used to detect nucleotides in the field of biotechnology and medical science.
- Subjects :
- Chemistry
Graphene
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
Biochemistry
0104 chemical sciences
Nucleobase
law.invention
symbols.namesake
Chemical physics
law
Monolayer
Density of states
symbols
Density functional theory
Physical and Theoretical Chemistry
van der Waals force
0210 nano-technology
Nanosheet
Germanane
Subjects
Details
- ISSN :
- 2210271X
- Volume :
- 1130
- Database :
- OpenAIRE
- Journal :
- Computational and Theoretical Chemistry
- Accession number :
- edsair.doi...........5feb97ba27d737569cbb6f1a6c9bbfcd