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New tolerance factor to predict the stability of perovskite oxides and halides

Predicting the stability of the perovskite structure remains a long-standing challenge for the discovery of new functional materials for many applications including photovoltaics and electrocatalysts. We developed an accurate, physically interpretable, and one-dimensional tolerance factor, τ, that c...

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Detalles Bibliográficos
Autores principales: Bartel, Christopher J., Sutton, Christopher, Goldsmith, Bryan R., Ouyang, Runhai, Musgrave, Charles B., Ghiringhelli, Luca M., Scheffler, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6368436/
https://www.ncbi.nlm.nih.gov/pubmed/30783625
http://dx.doi.org/10.1126/sciadv.aav0693