Spontaneous bidirectional ordering of CH(3)NH(3)(+) in lead iodide perovskites at room temperature: The origins of the tetragonal phase

CH(3)NH(3)PbI(3) is a hybrid organic-inorganic material with a perovskite structure and a temperature-dependent polymorphism whose origins are still unclear. Here we perform ab initio molecular dynamics simulations in order to investigate the structural properties and atom dynamics of CH(3)NH(3)PbI(...

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Publicat a:Sci Rep
Autors principals: Deretzis, Ioannis, Di Mauro, Bruno N., Alberti, Alessandra, Pellegrino, Giovanna, Smecca, Emanuele, La Magna, Antonino
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group 2016
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Article
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4832208/
https://ncbi.nlm.nih.gov/pubmed/27079383
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep24443
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