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Computation-accelerated discovery of the K(2)NiF(4)-type oxyhydrides combing density functional theory and machine learning approach
The emerging K(2)NiF(4)-type oxyhydrides with unique hydride ions (H(−)) and O(2-) coexisting in the anion sublattice offer superior functionalities for numerous applications. However, the exploration and innovations of the oxyhydrides are challenged by their rarity as a limited number of compounds...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9458981/ https://www.ncbi.nlm.nih.gov/pubmed/36092671 http://dx.doi.org/10.3389/fchem.2022.964953 |