Flexible and Efficient Semi-Empirical DFTB methods for Electronic Structure Prediction of 3D, 2D and 3D/2D Halide Perovskites

Jan 1, 2023·
Junke Jiang
,
Tammo Van Der Heide
,
Simon Thébaud
,
Carlos R Lien-Medrano
,
Bálint Aradi
,
Claudine Katan
,
Thomas Frauenheim
,
Jacky Even
· 0 min read
Type
Publication
EMRS Fall Meeting 2023