A reduced single descriptor projects multi-site activity landscapes onto coverage-consistent volcano relationships while preserving effects of lateral interactions and site heterogeneity.
Advanced capabilities for materials modelling with Quantum ESPRESSO.Journal of Physics: Condensed Matter, 29(46):465901
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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.