Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water
Gaining atomistic level understanding of alumina/water interfaces is key to unraveling alumina decomposition processes. Here the authors combine the experimental synthesis of shape-controlled γ-Al2O3 samples with metadynamics simulations to identify the surface weak spots responsible for alumina dec...
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| Auteurs principaux: | , , , , , , , , |
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| Format: | article |
| Langue: | EN |
| Publié: |
Nature Portfolio
2019
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/9838c5d8fe7740dc9d91ec6736a6c7c5 |
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| Résumé: | Gaining atomistic level understanding of alumina/water interfaces is key to unraveling alumina decomposition processes. Here the authors combine the experimental synthesis of shape-controlled γ-Al2O3 samples with metadynamics simulations to identify the surface weak spots responsible for alumina decomposition. |
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