Publication: Simulations of ion migration in metal halogenide perovskites
Prof. Roger De Souza has found errors through simulations of ion migration in metal halogenide perovskites and proposed a course correction.
For more information, see the press release and the publication:
Simulations of Ion Migration in Metal Halide Perovskites - error found and course course correction proposed
"Caution! Static Supercell Calculations of Defect Migration in Higher Symmetry ABX
3 Perovskite Halides May Be Unreliable: A Case Study of Methylammonium Lead Iodide"