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First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene

We performed first-principles calculations to reveal the possibility of applying pristine, defective, and B-doped graphene in feasible negative electrode materials of ion batteries. It is found that the barriers for ions are too high to diffuse through the original graphene, however the reduced barr...

Täydet tiedot

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Bibliografiset tiedot
Julkaisussa:Materials (Basel)
Päätekijät: Wan, Wei, Wang, Haidong
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: MDPI 2015
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC5512904/
https://ncbi.nlm.nih.gov/pubmed/28793558
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma8095297
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