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Machine Learning, Density functional theory calculations, O adsorption, TiZrNbMoAl HEAs
FeCrAl alloys, Density functional theory calculations, initial oxidization stage, oxygen adsorption
van der Waals heterostructure, Heterointerface, Sensor, SnSe2, SnS2, NO2
Cr coatings, Preferential orientation, Density functional theory calculations, O adsorption and diffusion behavior