Correlative analysis of Ni(II) coordination states in molten salts using a combination of X-ray and optical spectroscopies and simulations

A study investigated nickel metal speciation in molten salts using a combination of experimental and computational techniques. In situ X-ray absorption and optical spectroscopies provided real-time experimental data on the nickel species present. Ab initio molecular dynamics simulations complemented these experiments by offering insights into the atomic-level behavior of nickel. This multi-modal approach allowed for a comprehensive understanding of nickel's chemical forms and interactions within the molten salt environment.