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Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX 3 Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Iodide2022 The Journal of Physical Chemistry Letters article Engineering Perovskite Materials and Applications
Roger A. De Souza, Dennis Kemp, Matthew J. Wolf, Amr H. H. Ramadan
11citations
2 results