Quickly identify high-performance multi-element catalysts

Eurekalert  February 17, 2021
Many electrochemical reactions go through several steps. Each should be optimized on a catalyst surface if possible, but different requirements apply to each step. With the example of the oxygen reduction reaction, an international team of researchers (Denmark, Germany) showed that for high entropy alloys comprising five or more principal elements, by utilizing a data‐driven discovery cycle, the multidimensionality challenge raised by this catalyst class can be mastered. Iteratively refined computational models predict activity trends around which continuous composition‐spread thin‐film libraries are synthesised. High throughput characterisation datasets are then used as input for refinement of the model. The refined model correctly predicts activity maxima of the exemplary model system Ag‐Ir‐Pd‐Pt‐Ru. The method can identify optimal complex‐solid‐solution materials for electrocatalytic reactions in an unprecedented manner…read more. Open Access TECHNICAL ARTICLE

Schematic representation of the iterative materials discovery loop… Credit: Angewandte Chemie, 28 December 2020

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