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Energetics and Electronic Structure of h-BN Nanoflakes

We studied the energetics and electronic structure of hexagonal boron nitride (h-BN) nanoribbons with hydrogenated and clean edges with respect to the detailed edge shapes using density functional theory. Our calculations showed that the stability of h-BN edges strongly depends on the edge terminati...

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Vydáno v:Sci Rep
Hlavní autoři: Yamanaka, Ayaka, Okada, Susumu
Médium: Artigo
Jazyk:Inglês
Vydáno: Nature Publishing Group 2016
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4969744/
https://ncbi.nlm.nih.gov/pubmed/27481626
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep30653
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