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Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties
[Image: see text] Using a multiscale computational scheme, we study the trends in distribution and composition of the surface functional groups −O, −OH, and −F on two-dimensional (2D) transition metal carbides and nitrides (MXenes). We consider Ti(2)N, Ti(4)N(3), Nb(2)C, Nb(4)C(3), Ti(2)C, and Ti(3)...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8041312/ https://www.ncbi.nlm.nih.gov/pubmed/33657317 http://dx.doi.org/10.1021/acs.jpclett.0c03710 |