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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Автор:	Enrico Sireci (12127349) (author)
Інші автори:	Dmitry I. Sharapa (1769818) (author), Felix Studt (1317543) (author)
Опубліковано:	2025
Предмети:	Medicine Cancer Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified significantly different reactivities co splitting  overlooking surface sites small co nanoparticles work provides guidance discover active sites fcc metal nanoparticles co nanoparticles active sites co catalysts coordinated sites previously known particle sizes particle size nps ), might lead lower barriers keep track index surfaces dft study concentration evolution comprehensive overview
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A Comprehensive Overview of Active Sites of fcc-Co Nanoparticles and Their Role in CO SplittingA DFT Study

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