The reactions of electrochemically assisted intercalation of polyvalent ions constitute a novel domain in chemistry which may result in a radical enhancement of the energy storage efficiency compared to the monovalent alternative. A mandatory prerequisite in this respect is the achievement of quick and reversible intercalation – a real scientific challenge, bearing in mind the required fine balance of the kinetic constraints, the polarizing effect of the ions, the type of structural matrix and the solvating properties of the electrolyte. 

     In this project we propose a new original approach based on dual intercalation of mono- and divalent ions with synergic effect. The goal of the project is to study the mechanism of intercalation reactions of lithium, sodium and magnesium ions in oxides with layered and spinel structure and in double phosphate and sulfate salts with olivine and alluaudite type of structures by combining the experimental and the theoretical approach. The work program of the project is based on the logically interconnected components in a way constituting a complete cycle: from tailored synthesis and detailed structural, morphological and spectroscopic analyses, through theoretical modelling of the ions state in non-aqueous electrolyte solutions followed by electrochemical intercalation and application of ex-situ physico-chemical methods for description of the structural changes in the bulk and at the surface of the host materials during the intercalation process, to the comparative analysis and rationalization of the experimental and theoretical results. The research team matches the principle “complementarity-synergy” and comprises students, young scientists, graduate students, post-docs, and senior researchers from three leading research institution IGIC-BAS, IEES-BAS and FCP-SU. The project presents an integrated fundamental study with marked interdisciplinary character; thus, the cumulative effect of the proposed investigations paves the way to gaining of new knowledge on diffusion of polyvalent ions in specific structure types, facilitates the in-depth understanding of the mechanism of intercalation reactions, and allows the derivation of new rules and models for description of intercalation compounds and of electrolyte solutions. The results obtained will be made available to the scientific community by publishing them in reputable journals. Beside scientific contribution, the expected outcome may aid the solution of public challenges in the field of “Safe, clean and efficient energy”, which outlines good perspectives for further development of the project after its successful completion.

a modelling


project Dual intercalation of alkaline and alkaline earth

ions in two- and three-dimensional structures: experimental

 and theoretical modelling

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