Structural Stability of Iodide Perovskite: A Combined Cluster Expansion Method and First-Principles Study
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DOI: 10.1021/acs.jpcc.7b07910
Abstract: To aid the development of Pb-free perovskite solar cells, the stability of the iodide perovskite structure ABI3 has been investigated by first-principles calculations, Bader charge analysis, and the cluster expansion method. At the A sites,… read more here.
Keywords: iodide perovskite; expansion method; stability iodide; cluster expansion ... See more keywords