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Directed Evolution of Metastable Electrocatalyst Interfaces for Energy Conversion

CORDIS · observation · Publication date unknown

e combine the core expertises of the PIs: theoretical modelling and simulations, high-throughput synthesis and characterization, nanoparticle synthesis, electrochemical operando techniques as well as machine learning. Our synergistic approach will significantly advance these individual competences by key conceptual innovations: (i) Evolutionary screening of micro-libraries to efficiently identify stable materials covering the complete HEM composition space; (ii) Accelerated atomic-scale characterization of HEM surfaces by combining combinatorial HEM synthesis with atom probe tomography; (iii) High-throughput operando experiments with thin film material libraries; (iv) Developing inverse activity-structure relationships and theoretical descriptors for metastability; v) Implementing active learning approaches based on materials informatics and using a semantic data lake. We will establish a theory of metastability as a core concept for the understanding of electrocatalysis for the most important energy conversion reactions: oxygen reduction and evolution, and CO2 reduction. Instead of

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recordType

award

status

SIGNED

region

EU

value

9973679

unit

EUR