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Insight into the Improved Phase Stability of CsPbI(3) from First-Principles Calculations

[Image: see text] The effect of organic cation doping with aziridinium (Az(+)) on the material properties of CsPbI(3) was investigated by applying first-principles calculations. The results showed that the phase stability is greatly improved by incorporating the organic cation Az(+) at the A site of...

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Detalles Bibliográficos
Autores principales: Liu, Diwen, Zha, Wenying, Guo, Yongmei, Sa, Rongjian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6964504/
https://www.ncbi.nlm.nih.gov/pubmed/31956842
http://dx.doi.org/10.1021/acsomega.9b03838