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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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Detalles Bibliográficos
Autores principales: Kitchaev, Daniil A., Ceder, Gerbrand
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5171653/
https://www.ncbi.nlm.nih.gov/pubmed/27966547
http://dx.doi.org/10.1038/ncomms13799