Data-driven enhancement of cubic phase stability in mixed-cation perovskites

Data-driven enhancement of cubic phase stability in mixed-cation perovskites

<div><p>Mixing cations has been a successful strategy in perovskite synthesis by solution-processing, delivering improvements in the thermodynamic stability as well as in the lattice parameter control. Unfortunately, the relation between a given cation mixture and the associated structur...

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Bibliographic Details
Main Author: Heesoo Park (1604989) (author)
Other Authors: Adnan Ali (2542495) (author), Raghvendra Mall (581171) (author), Halima Bensmail (10400) (author), Stefano Sanvito (1294110) (author), Fedwa El-Mellouhi (2011099) (author)
Published: 2021
Subjects:
Chemical sciences
Theoretical and computational chemistry
Engineering
Materials engineering
deep learning
density functional theory
data-driven materials discovery
hybrid organic inorganic perovskites
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