Abstract

Influence modeling of cationic composition melt on structural features of the electrochemically active particles during simultaneous and sequential electron transfer

Author(s): V.V.Soloviov, L.A.Chernenko*

Based on analysis results of the ab initio-calculation influence of a cationic composition tungstate containing melt on the structural features of the electrochemically active particles, were discovered differences in the structure of the outer coordination spheres while implementing a sequential and simultaneous 6-electronÂ’s transfer. The prioritywas justified for simultaneous transfer over the sequential for all cationized tungastate ion forms. Based on the analysis of ab initio-calculation of the effect of cation composition tungstate-containing melt structural characteristics electrochemically active particles detect a difference in the structure of the outer coordination spheres in the implementation of sequential and simultaneous 6-electrons transfer, and justified the priority of simultaneous transport of cationized consistent for all forms of tungstate ion. The results obtained, in our opinion, offer the prospect of purposeful creation of necessary conditions for controlling the charge transfer upon receipt methods HES materials with desired properties by changing the type and form of electrochemically active particles, provided that the amount of detected micro effects (changing the structure of the reaction products at constant composition of source compounds) would be sufficient to provide a qualitatively new macro characteristics (thermal and electrical conductivity, strength, obtained coatings, etc.)


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