Adsorption of adenine molecule on χ3 borophene nanosheets: A density functional theory study
| Autor: | Mohammad Bagher Tavakoli, Shirin Sabokdast, Maryam Momeni, Yavar T. Azar, Ashkan Horri |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Chemistry
02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Adsorption Chemical physics Borophene Molecule Density functional theory 0210 nano-technology Adsorption energy |
| Zdroj: | Physica E: Low-dimensional Systems and Nanostructures. 119:114026 |
| ISSN: | 1386-9477 |
| DOI: | 10.1016/j.physe.2020.114026 |
| Popis: | In this paper, we use density functional theory (DFT) method to study the adsorption properties of adenine molecule on the χ 3 borophene nanosheets. The attributes of the adsorption at different molecule orientations and different selective positions are investigated. We found that interactions between adenine and selective points on borophene sheets result in chemical and physical adsorption that in some cases, high adsorption energy and charge transfer occurs well. Results indicate the strong potential of borophene in adsorption of the adenine molecule, so this two-dimensional material could be a suitable candidate for future DNA sequencing devices. |
| Databáze: | OpenAIRE |
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