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...

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Detalles Bibliográficos
Autores principales: Tayo, Benjamin O., Walkup, Michael A., Caliskan, Serkan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: AIP Publishing LLC 2023
Materias:
Regular Articles
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

Internet

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

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