Project description DEENESFRITPL Towards new, promising oxides for sustainable energy storage systems Thermochemical energy storage (TCES) technology can be used to store solar energy. The EU-funded OXITES project will investigate promising TCES materials among oxides of earth-abundant metals by combining experimental and theoretical studies. The research fellow will draw up a longlist of oxide candidates from structural databases and screen them to determine conditions for their hydration and carbonation reactivity as well as parameters such as sorption capacity and heat. The experimental data will then be linked with density-functional theory calculations by means of machine learning to highlight the structure–property relationship for the broad set of oxides. Finally, the most promising materials with high storage density will be tested in a prototype chemical heat pump operating at around 300–600 degrees Celsius. Show the project objective Hide the project objective Objective Renewable and sustainable energy systems of the future are only possible in combination with storage technologies for bridging the gap between production and consumption of energy. The use of solar energy is inherently limited by the intermittency of solar light which requires robust and efficient solutions for energy storage. One of the attractive storage options for large-scale solar systems is ThermoChemical Energy Storage (TCES) based on the use of reversible chemical reactions. TCES combines high heat storage density with unlimited storage duration, endowing the energy storage efficiency and flexibility. Currently, the number of materials studied for TCES at high temperatures remains very limited, hindering further development of thermochemical systems. The project is aimed at the search for promising TCES materials among oxides of earth-abundant metals by combining experimental and theoretical studies. First, a longlist of promising oxide candidates (< 200) will be generated based on structural databases. Then, the experimental screening will be done to outline conditions for their hydration and carbonation reactivity and measurement of relevant parameters such as sorption capacity and heat. The theoretical study bridging DFT calculations with the experimental data by means of machine learning will highlight the structure-property relationship for the broad set of oxides. Finally, several most promising materials with high storage density will be tested in a prototype of chemical heat pump operating at T = 300-600oC. As a result, a library of promising oxides for high-temperature H2O and CO2 sorption will be generated and theoretical guidelines for future target-based development of oxide systems for this purpose will be delivered. This project realized within DLR (Germany) in cooperation with Delft University of Technology (Netherlands) will bring the TCES closer to market scale. The idea is in line with the current EU policy towards renewable energy. Fields of science engineering and technologyenvironmental engineeringenergy and fuelsrenewable energynatural sciencescomputer and information sciencesdatabasesengineering and technologymechanical engineeringthermodynamic engineeringheat engineeringnatural sciencescomputer and information sciencesartificial intelligencemachine learningnatural scienceschemical sciences Keywords energy storage metal oxides hydration carbonation chemical thermodynamics DFT Programme(s) H2020-EU.1.3. - EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions Main Programme H2020-EU.1.3.2. - Nurturing excellence by means of cross-border and cross-sector mobility Topic(s) MSCA-IF-2020 - Individual Fellowships Call for proposal H2020-MSCA-IF-2020 See other projects for this call Funding Scheme MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF) Coordinator DEUTSCHES ZENTRUM FUR LUFT - UND RAUMFAHRT EV Net EU contribution € 162 806,40 Address LINDER HOHE 51147 Koln Germany See on map Region Nordrhein-Westfalen Köln Köln, Kreisfreie Stadt Activity type Research Organisations Links Contact the organisation Opens in new window Website Opens in new window Participation in EU R&I programmes Opens in new window HORIZON collaboration network Opens in new window Total cost € 162 806,40
