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Evaluating structure selection in the hydrothermal growth of FeS(2) pyrite and marcasite

While the ab initio prediction of the properties of solids and their optimization towards new proposed materials is becoming established, little predictive theory exists as to which metastable materials can be made and how, impeding their experimental realization. Here we propose a quasi-thermodynam...

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Detalhes bibliográficos
Publicado no:Nat Commun
Main Authors: Kitchaev, Daniil A., Ceder, Gerbrand
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5171653/
https://ncbi.nlm.nih.gov/pubmed/27966547
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms13799
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