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Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water

The kinetic stability of any material in water relies on the presence of surface weak spots responsible for chemical weathering by hydrolysis. Being able to identify the atomistic nature of these sites and the first steps of transformation is therefore critical to master the decomposition processes....

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Detalhes bibliográficos
Publicado no:Nat Commun
Main Authors: Réocreux, R., Girel, É., Clabaut, P., Tuel, A., Besson, M., Chaumonnot, A., Cabiac, A., Sautet, P., Michel, C.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6637198/
https://ncbi.nlm.nih.gov/pubmed/31316059
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-019-10981-9
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