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Published in 2021 at "npj Computational Materials"
DOI: 10.1038/s41524-021-00605-6
Abstract: To accelerate the discovery of materials through computations and experiments, a well-established protocol closely bridging these methods is required. We introduce a high-throughput screening protocol for the discovery of bimetallic catalysts that replace palladium (Pd),…
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Keywords:
bimetallic catalysts;
discovery;
screening protocol;
protocol discovery ... See more keywords