Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials

[Image: see text] Synthesis is a major challenge in the discovery of new inorganic materials. Currently, there is limited theoretical guidance for identifying optimal solid-state synthesis procedures. We introduce two selectivity metrics, primary and secondary competition, to assess the favorability...

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Detalles Bibliográficos
Autores principales: McDermott, Matthew J., McBride, Brennan C., Regier, Corlyn E., Tran, Gia Thinh, Chen, Yu, Corrao, Adam A., Gallant, Max C., Kamm, Gabrielle E., Bartel, Christopher J., Chapman, Karena W., Khalifah, Peter G., Ceder, Gerbrand, Neilson, James R., Persson, Kristin A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10604012/
https://www.ncbi.nlm.nih.gov/pubmed/37901171
http://dx.doi.org/10.1021/acscentsci.3c01051

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