A reduced single descriptor projects multi-site activity landscapes onto coverage-consistent volcano relationships while preserving effects of lateral interactions and site heterogeneity.
Generation of Projector Augmented-Wave atomic data: A 71 element validated table in the XML format.Computer Physics Communications, 185(4):1246–1254
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Unified Mapping of Multi-Site Electrocatalytic Activity Using a Single Descriptor
A reduced single descriptor projects multi-site activity landscapes onto coverage-consistent volcano relationships while preserving effects of lateral interactions and site heterogeneity.