Cargando…
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...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6776646/ https://www.ncbi.nlm.nih.gov/pubmed/31582761 http://dx.doi.org/10.1038/s41598-019-50548-8 |