Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D and 3D/2D Halide Perovskites
Jan 1, 2023·,,,,,,,·
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Junke Jiang
Tammo Van Der Heide
Simon Thébaud
Carlos R Lien-Medrano
Bálint Aradi
Claudine Katan
Thomas Frauenheim
Jacky Even