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New crystal structure prediction of fully hydrogenated borophene by first principles calculations
New crystal structures of fully hydrogenated borophene (borophane) have been predicted by first principles calculation. Comparing with the chair-like borophane (C-boropane) that has been reported in literature, we obtained four new borophane conformers with much lower total-energy. The most stable o...
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| Τόπος έκδοσης: | Sci Rep |
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| Κύριοι συγγραφείς: | , , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
Nature Publishing Group UK
2017
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5428818/ https://ncbi.nlm.nih.gov/pubmed/28377622 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-00667-x |
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