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Density functional study on the binding properties of nucleobases to stanane nanosheet
- Source :
- Applied Surface Science. 462:831-839
- Publication Year :
- 2018
- Publisher :
- Elsevier BV, 2018.
-
Abstract
- We report the interaction of stanane nanosheet (Sn-NS) with deoxy ribo nucleic acids (DNA)/ribo nucleic acids (RNA) utilizing density functional theory (DFT) technique. The calculated formation energy led us to conclude that Sn-NS exhibits a stable geometric structure. The energy band structure and density of states (DOS) spectrum provide the electronic characteristics of Sn-NS, and the band gap is found to be 1.73 eV, which exhibit semiconducting property. Our results confirmed the adsorption of nucleobases with stanane nanosheet, which follows the sequence C > U > A > T > G. The interaction property of nucleobases on Sn-NS material is authenticated with the Bader charge transfer, energy gap, adsorption energy and average energy gap changes. Moreover, the interaction of nucleobases on Sn-NS is also explored using the change in the DOS-spectrum, electron density diagrams and energy band structure. The findings of the current work infer that the DNA sequencing can be carried out using stanane nanosheet.
- Subjects :
- Electron density
Materials science
Band gap
General Physics and Astronomy
02 engineering and technology
Surfaces and Interfaces
General Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Nucleobase
Crystallography
Nucleic acid
Density of states
Density functional theory
0210 nano-technology
Electronic band structure
Nanosheet
Subjects
Details
- ISSN :
- 01694332
- Volume :
- 462
- Database :
- OpenAIRE
- Journal :
- Applied Surface Science
- Accession number :
- edsair.doi...........7858eaeb363370d68cb770c5a8542b2d