Kazan Federal University (KFU) has presented a new material for the development of metal-ion batteries. It is a covalent triazine framework doped with silicon and fluorine atoms, the university's press service reported.
Covalent triazine frameworks are considered a promising basis for lithium-ion battery electrodes due to their high porosity, good chemical and thermal stability, but their low electrical conductivity leads to poor electrochemical characteristics, so the search for more advanced compounds is underway.
According to Irina Gumarova, a leading researcher at the Research Laboratory "Computer Design of New Materials and Machine Learning" at the Institute of Physics of KFU, the use of new organic triazine frameworks can improve the efficiency, durability and safety of modern metal-ion batteries.
To study this material, we used one of the most widely used and versatile methods - the density functional method. We analyzed the mechanical and thermodynamic stability of the structure and investigated various energy characteristics of the compound, such as strength, theoretical capacity, adsorption energy, and diffusion level.
The theoretical capacity of the new compound is 462 mAh/g. This figure significantly exceeds the capacity of graphene (372 mAh/g), which is currently used.
Scientists have also found that strong covalent bonds predominate in the covalent triazine framework. This makes it particularly promising for use in batteries.
Earlier www1.ru reported that new frost-resistant materials for Russian batteries are being tested in Siberia.
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