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Effects of Ni doping on various properties of NbH phases: A first-principles investigation
Changes in the stability, hydrogen diffusion, and mechanical properties of the NbH phases from Ni-doping was studied by using first-principles methods. The calculation results reveal that the single H atom adsorption is energetically favorable at the tetrahedral interstitial site (TIS) and octahedra...
Tallennettuna:
| Julkaisussa: | Sci Rep |
|---|---|
| Päätekijät: | , , , , , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
Nature Publishing Group UK
2017
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5529445/ https://ncbi.nlm.nih.gov/pubmed/28747740 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-06658-2 |
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