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Point defects at the ice (0001) surface
Using density functional theory we investigate whether intrinsic defects in ice surface segregate. We predict that hydronium, hydroxide, and the Bjerrum L- and D-defects are all more stable at the surface. However, the energetic cost to create a D-defect at the surface and migrate it into the bulk c...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2906571/ https://ncbi.nlm.nih.gov/pubmed/20615938 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1001087107 |
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