The objective of WP1 was to ensure efficient project coordination, quality, monitoring of progress and reporting to the EC, as well as to guarantee internal communication between the partners and external communication and dissemination of the project’s results.
The project Data management plan, containing a summary of the datasets expected to be produced and key data management practices in accordance with the FAIR principles was submitted in RP1. Datasets produced within the project duration were uploaded on european repositories. IPR Management & Communication and Dissemination plans have also been delivered. A dedicated website, including an intranet platform for internal communication and sharing, were set from the begining of the project. Networking activities with other FET-Open projects in the field of batteries include a joint Twitter account, in addition to the CARBAT Twitter account, and a joint participation at ICT2018 in Vienna. The consortium participated in events organized by FET-FX and FET Briefing projects. A Key Exploitable Result was identified and published on the Horizon Research Platform.
The objective of WP2 was to develop a suitable cathode active material, to allow to reversibly insert and extract Ca2+ cations, with a specific capacity of 200-300 mAh/g and operating at 3-4 V. The Inorganic Crystal Structure Database (ICSD) and the American Mineralogist Crystal Structure Database (AMCSD) were screened for known compounds with suitable composition and crystal structure that may favour reversible intercalation of Ca ions. A complete list including 66 compounds (from which compounds with large formula weight were excluded) was identified and the expected potential and volume variations were computed. For the compounds exhibiting better features, the calculation of energy barriers for the diffusion of Ca2+ ions was performed. The 5 most promising materials, displaying an energy barrier for Ca mobility below 0.7 eV, were chosen for synthesis, electrochemical testing and characterization. After careful experimental investigation, two compounds were identified as electrochemically active and protected via patent apllications.
The objective of WP3 was to develop a new electrolyte with suitable properties. The computational screening within the project expanded upon this SotA picture and excluded some prospective components as less relevant from a technological perspective. Assessment of the impact of the electrolyte formulation on the transport properties, passivation layers, and Ca electrodeposition was completed. The relationship between the coordination number and ion-pair dissociation and intrinsic properties such as thermal stability, conductivity, and viscosity for Ca-battery electrolytes was explored. The analysis of the solvation shell composition and any possible influence on the cation mobility by IR and Raman spectroscopy was completed. Alternative electrolyte concepts were investigated.
The objective of WP4 was the assembly of a demonstrator cell using Ca metal anode, the cathode material developed in WP2 and the electrolyte optimized in WP3. As contingency plan, TiS2 was selected as cathode material for the demonstrator assembly. The cathode manufacturing process was completed and its compatibility with the Ca electrolyte tested.
