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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(...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4832208/ https://www.ncbi.nlm.nih.gov/pubmed/27079383 http://dx.doi.org/10.1038/srep24443 |