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...

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Detalles Bibliográficos
Autores principales: Ullah, Saif, Denis, Pablo A., Sato, Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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

Internet

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

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