Evaluating structure selection in the hydrothermal growth of FeS₂ 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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Bibliographic Details
Main Authors: Kitchaev, Daniil Andreevich, Ceder, Gerbrand
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: Nature Publishing Group 2017
Online Access:http://hdl.handle.net/1721.1/107628
https://orcid.org/0000-0003-2309-3644