Strain and ligand effects in the 1-D limit: reactivity of steps

Abstract The predictive design of alloy (electro)catalysts is necessary to identify catalysts more active, selective, stable, and low-cost than the pure metals. Our fundamental understanding of the catalytic behavior of alloys is limited however as it is typically derived from that of flat, “pristin...

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Bibliographic Details
Main Authors: Onyinyechukwu Goodness Njoku, Paige Fronczak, Kara Smeltz, Ian T. McCrum
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01616-3
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