179 citations · 382 across the 9 of their papers we have counts for
9 papers
Topological representation of layered hybrid lead halides for machine-learning using universal clusters
Ekaterina I. Marchenko, Maria G. Khrenova, Korolev V. V. +2
Layered hybrid halide compounds offer promising functional properties, particularly tunable band gaps, conductivity, light harvesting thus making them prospective for applications…
Machine Learning Recognition of hybrid lead halide perovskites and perovskite-related structures out of X-ray diffraction patterns
E. I. Marchenko, V. V. Korolev, E. A. Kobeleva +5
Identification of crystal structures is a crucial stage in the exploration of novel functional materials. This procedure is usually time-consuming and can be false-positive or fals…
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…
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…
Crystal chemical insights on lead iodide perovskite doping from revised effective radii of metal ions
Ekaterina I. Marchenko, Sergey A. Fateev, Nikolay N. Eremin +3
Over the last few years of the heyday of hybrid halide perovskites, so many metal cations additives have been tested to improve their optoelectronic properties that it is already d…
Relationships between distortions of inorganic framework and band gap of layered hybrid halide perovskites
Ekaterina I. Marchenko, Vadim V. Korolev, Sergey A. Fateev +4
The unprecedented structural flexibility and diversity of inorganic frameworks of layered hybrid halide perovskites (LHHPs) rise up a wide range of useful optoelectronic properties…
FA2PbBr4: synthesis, structure and unusual optical properties of two polymorphs of formamidinium-based layered (110) hybrid perovskite
Sergey A. Fateev, Andrey A. Petrov, Ekaterina I. Marchenko +6
Small cations such as guanidinium and cesium can act as templating cations to form low dimensional phases (2D, 1D, 0D) in the case of excess of organic halides. However, such phase…
Layer shift factor in layered hybrid perovskites -- univocal quantitative descriptor of composition-structure-property relationships
Ekaterina I. Marchenko, Vadim V. Korolev, Artem Mitrofanov +3
Asceding interest of the scientific community in layered hybrid halide perovskites (LHHPs) as materials for innovative photovoltaic and optoelectronic applications led to unprecede…
Database of 2D hybrid perovskite materials: open-access collection of crystal structures, band gaps and atomic partial charges predicted by machine learning
Ekaterina I. Marchenko, Sergey A. Fateev, Andrey A. Petrov +5
We describe a first open-access database of experimentally investigated hybrid organic-inorganic materials with two-dimensional (2D) perovskite-like crystal structure. The database…