activity
20202024
most citedDatabase of 2D hybrid perovskite materials: open-access collection of crystal structures, band gaps and atomic partial charges predicted by machine learning

179 citations · 382 across the 9 of their papers we have counts for

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2 papers · 1 filter

cond-mat.mtrl-sci2022★ 19 cited

Structure-related bandgap of hybrid lead halide perovskites and close-packed APbX3 family of phases

Ekaterina I. Marchenko, Sergey A. Fateev, Vadim V. Korolev +4

Metal halide perovskites APbX3 (A+ = FA+ (formamidinium), MA+ (methylammonium) or Cs+, X- = I-, Br-) are considered as prominent innovative components in nowadays perovskite solar…

cond-mat.mtrl-sci2022★ 6 cited

Stable compounds in the CaO-Al2O3 system at high pressures

Ekaterina I. Marchenko, Artem R. Oganov, Efim A. Mazhnik +1

Using evolutionary crystal structure prediction algorithm USPEX, we showed that at pressures of the Earth's lower mantle CaAl2O4 is the only stable calcium aluminate. At pressures…