MSCA COFUND Actions Programme
TOPIC 28 - #1
COHORT#1 - Topic 28
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Applications for Cohort#1 are closed !
Topic 01-28 : Structural studies of heterocyclic alkali metal saltsolvates as materials for battery applications
The main goal of the project covers developing a structural approach based on extensive single-crystal X-ray diffraction studies as a tool for designing and evaluating novel electrolyte systems. Thus, the proposed research will be based on the results of crystallographic data collected for the series of solvates of selected heterocyclic salts. The research will be carried out in two main areas including structural analysis of solvates of lithium and sodium salts and their hydrates correlated with the results of spectroscopic and temperature measurements.
The preliminary stage of research includes selecting and crystallizing solvates suitable for the project. Afterward, obtained compounds will be extensively characterized by the means of FTIR and Raman spectroscopy. The identification of the phase transitions and their thermal effects will be conducted using the differential scanning calorimetry. The behavior of the system at temperatures near its melting point, the value of the phase transition temperature, and the thermal effect thereof, will be interesting information that is complementary to the knowledge of the energy of the crystal lattice and strengths of the ionic bonds in the crystal. The possibility of comparison between FTIR and Raman spectra and structures obtained from the diffraction experiments should allow the creation of the basis of knowledge which will contain the presence, energy, and character of the bands for the defined structure of the system. The correlation between thermal dependence of the vibrational spectra of solvates and the results of the thermal analysis may appear particularly interesting for analyzing concentrated electrolyte systems. The obtained data will be further supported by theoretical calculations and/or electrochemical evaluation carried out with the collaboration of appropriate specialized secondment facilities.
The preliminary stage of research includes selecting and crystallizing solvates suitable for the project. Afterward, obtained compounds will be extensively characterized by the means of FTIR and Raman spectroscopy. The identification of the phase transitions and their thermal effects will be conducted using the differential scanning calorimetry. The behavior of the system at temperatures near its melting point, the value of the phase transition temperature, and the thermal effect thereof, will be interesting information that is complementary to the knowledge of the energy of the crystal lattice and strengths of the ionic bonds in the crystal. The possibility of comparison between FTIR and Raman spectra and structures obtained from the diffraction experiments should allow the creation of the basis of knowledge which will contain the presence, energy, and character of the bands for the defined structure of the system. The correlation between thermal dependence of the vibrational spectra of solvates and the results of the thermal analysis may appear particularly interesting for analyzing concentrated electrolyte systems. The obtained data will be further supported by theoretical calculations and/or electrochemical evaluation carried out with the collaboration of appropriate specialized secondment facilities.
