MINOBR №125022002749-4

(2025—2027)

Annotation

Vanadium oxide structures coated with and/or intercalated by a conducting polymer in the interlayer space will be modelled, and the most energetically favourable configuration will be determined. Material parameters, including the diffusion of the intercalating ions, will also be evaluated. Model samples of vanadium oxides coated with and intercalated by conducting polymers will be synthesized, their structure will be confirmed by various methods, and their functional properties will be assessed. The final result of the project is a vanadium-oxide-based cathode material for a zinc-ion battery with characteristics of about 400 mAh/g and above at a current of 0.1 A/g, operating stably for 1000 cycles at currents of 0.3–10 A/g.

Upon completion of the project, the best «vanadium oxide – polymer» combinations with the highest performance will be identified in order to create new electrode materials for safe and efficient electrochemical power sources (aqueous zinc-ion batteries). The data obtained can be used to develop new environmentally safe types of chemical power sources capable of operating under various climatic conditions.

Expected results

The interdisciplinary nature of this project stems from the study of charge-transfer processes in complex composite materials based on vanadium oxides and conducting polymers. In particular, ion intercalation in the solid state and ion diffusion in the electrolyte can be described by a number of physical laws and simulated according to the main existing theories, and can be confirmed by experimental studies using various electrochemical methods as well as methods of composition, structure and surface analysis.

The following results are planned within the project:

• Modelling the structure of vanadium oxide with a conducting polymer. Periodic density-functional modelling of layered vanadium oxide structures with poly(3,4-ethylenedioxythiophene) intercalated into the interlayer space is planned, followed by correlation with experimental data. The relationship between the structure of the cathode material and the zinc-ion diffusion parameters is investigated.
• Synthesis of composite materials for metal-ion batteries and their characterization. Samples of vanadium oxides coated with and intercalated by polymers (poly(3,4-ethylenedioxythiophene) and others) are obtained using various synthetic routes. The materials obtained are characterized by XRD, SEM, TEM, TGA and XPS. The study of functional properties is started.
• Electrochemical performance of the composite materials. Electrode materials are prepared. The electrochemical properties of the electrode materials are tested in aqueous zinc-ion battery prototypes by galvanostatic charge/discharge, cyclic voltammetry and faradaic impedance spectroscopy. The electronic conductivity of vanadium oxide with and without polymers is evaluated.