All-inorganic metal halide perovskite nanocrystals (NCs) having the general formula ABX3, where A is a monovalent cation, for example, Cs+, B divalent typically Pb2+, and X Cl–, Br–, I–, or their binary mixture, show potential in optoelectronic devices. In this work, we explore effect of B-site doping on properties CsPbX3 NCs (X = Br, Cl). First, Pb2+ ions pristine CsPbBr3 NC are partially subs...

Macrocyclic ligands form highly selective and kinetically labile complexes with a wide range of cations, including alkali metal and alkaline earth cations. Formation rate constants are high and remarkably insensitive to ligand structure, but decrease systematically with increasing charge density of the cation this behaviour is qualitatively similar to that expected for the dissociative intercha...

Alkaline-earth-like transition-metal atoms such as Zn and Cd are promising candidates for precision measurements quantum many-body physics experiments. Here, we theoretically investigate the properties of diatomic molecules containing these closed-shell atoms. We calculate potential energy curves, permanent electric dipole moments, spectroscopic constants consisting either a or atom interacting...