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Experimental and computational screening of Oxides for Thermochemical Energy Storage (OxiTES)

Project description

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.

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.

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Programme(s)

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Topic(s)

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Funding Scheme

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MSCA-IF - Marie Skłodowska-Curie Individual Fellowships (IF)

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) H2020-MSCA-IF-2020

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Coordinator

DEUTSCHES ZENTRUM FUR LUFT - UND RAUMFAHRT EV
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 162 806,40
Address
LINDER HOHE
51147 KOLN
Germany

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Region
Nordrhein-Westfalen Köln Köln, Kreisfreie Stadt
Activity type
Research Organisations
Links
Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 162 806,40
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