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Exploring the High-Temperature Stabilization of Cubic Zirconia from Anharmonic Lattice Dynamics
[Image: see text] Finite-temperature stability of crystals is of continuous relevance in solid-state chemistry with many important properties only emerging in high-temperature polymorphs. Currently, the discovery of new phases is largely serendipitous due to a lack of computational methods to predic...
Autores principales: | Tolborg, Kasper, Walsh, Aron |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10161191/ https://www.ncbi.nlm.nih.gov/pubmed/37159659 http://dx.doi.org/10.1021/acs.cgd.2c01458 |
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