Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure
We computed the atomic shift sizes of the closest adjacent atoms adjoining the (001) surface
F-center at ABO3 perovskites. They are significantly larger than the atomic shift sizes of the …
F-center at ABO3 perovskites. They are significantly larger than the atomic shift sizes of the …
Ultra-low thermal conductivity, high thermoelectric figures of merit and high photocatalytic activity of monolayer Ag (2-x) CuxS (x= 0, 1, 2)
W Fang, K Kuang, H Wei, X Xiao, Y Chen, M Li, Y He - FlatChem, 2022 - Elsevier
Abstract 2D materials simultaneously with excellent thermoelectric performance and high
photocatalytic activity have attracted considerable attention due to their potential …
photocatalytic activity have attracted considerable attention due to their potential …
Ab-initio calculations of structural, vibrational, electronic and elastic properties of fluorite minerals: A computer simulation approach
There are numerous industrial and technological uses for minerals from the fluorite group.
Fluorite group minerals, according to Dana's mineralogy, are simple metallic fluorides with a …
Fluorite group minerals, according to Dana's mineralogy, are simple metallic fluorides with a …