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Adsorption of DNA nucleobases on single-layer Ti(3)C(2) MXene and graphene: vdW-corrected DFT and NEGF studies
We investigated the interaction of DNA nucleobases [adenine (A), guanine (G), thymine (T), and cytosine (C)] with single-layer Ti(3)C(2) MXene using Van der Waals (vdW)-corrected density functional theory and non-equilibrium Green’s function methods. All calculations were benchmarked against graphen...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
AIP Publishing LLC
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10415020/ https://www.ncbi.nlm.nih.gov/pubmed/37575976 http://dx.doi.org/10.1063/5.0160784 |