A Comprehensive Overview of Active Sites of fcc-Co Nanoparticles and Their Role in CO SplittingA DFT Study

When modeling catalytically active sites in fcc metal nanoparticles (NPs), most theoretical studies often rely on just a handful of low-index surfaces, which might lead to overlooking surface sites that are important in the reaction. In this work, we identify 13 distinct types of low-coordinated sit...

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Bibliographic Details
Main Author: Enrico Sireci (12127349) (author)
Other Authors: Dmitry I. Sharapa (1769818) (author), Felix Studt (1317543) (author)
Published: 2025
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