HIGHLIGHTS
- who: Sander Raaijmakers et al. from the (UNIVERSITY) have published the Article: Refined GFN1-xTB Parameters for Engineering Phase-Stable CsPbX3 Perovskites, in the Journal: (JOURNAL) of May/26,/2022
- what: With the newly acquired parameters, the authors provide insights into MHP phase stability. For all data used in this work, the simulations were sampled every 24 fs, using 12 simulation steps, and the results were calculated by fitting the data from the last 50 ps of each simulation. For the analysis, 18 equivalent Cs cations and halide anions were used, 1 of them indicated . . .
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