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Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction
We have predicted stable reconstructions of the (100) and (111) surfaces of NaCl using the global optimization algorithm USPEX. Several new reconstructions, together with the previously reported ones, are found. For the cleaved bare (100) surface, pure Na and pure Cl are the only stable surface phas...
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| Udgivet i: | Sci Rep |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Nature Publishing Group UK
2019
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6776646/ https://ncbi.nlm.nih.gov/pubmed/31582761 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-019-50548-8 |
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