Li-molecule pair is a widely used model for the simulation of reduction in Li-ion batteries. We demonstrate that this model provides incorrect results for some solvents. When an electron is added to the Li-molecule pair, it may go to the lithium-ion and neutralize it.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2023
Local processes inside the ion solvation shell are believed to be the main factor affecting ion reduction in battery electrolytes. Much less attention is devoted to the interaction between the ion and molecules outside the shell. We demonstrate that in recently developed divalent batteries, long range ion/solvent and ion/electrode interactions significantly affect the reduction of ions.
View Article and Find Full Text PDFThe diffusivity of ions in liquid solutions is known either to decrease with an increase in the ion size or to have a single maximum depending on the ion size. This article presents evidence for the appearance of multiple maxima and thus multiple ion sizes with enhanced diffusivity. This is caused by destabilization of the ion solvation shell and only happens at the ion radii that correspond to changes of the ion coordination number, which happen with an increase in the ion size.
View Article and Find Full Text PDFExperimental results of studies on ability to treat by laser beam holes into needles by 0.15-1.0 mm diameter made of steel are presented.
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