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Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane

[Image: see text] Physical catalysts often have multiple sites where reactions can take place. One prominent example is single-atom alloys, where the reactive dopant atoms can preferentially locate in the bulk or at different sites on the surface of the nanoparticle. However, ab initio modeling of c...

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Detalles Bibliográficos
Autores principales: Bunting, Rhys J., Wodaczek, Felix, Torabi, Tina, Cheng, Bingqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10347548/
https://www.ncbi.nlm.nih.gov/pubmed/37390457
http://dx.doi.org/10.1021/jacs.3c04030