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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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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 |