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Unusual Enhancement of the Adsorption Energies of Sodium and Potassium in Sulfur−Nitrogen and Silicon−Boron Codoped Graphene
[Image: see text] Herein, we have employed first-principles calculations to investigate the interaction between XY dual-doped graphene (DDG) (X = AL, Si, P, S; Y = B, N, O) and sodium/potassium. The introduction of two dopants alters the adsorption energy (AE) of sodium and potassium with respect to...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643653/ https://www.ncbi.nlm.nih.gov/pubmed/31458230 http://dx.doi.org/10.1021/acsomega.8b02500 |