Advanced Materials · 2021 · 52 citations · 25 references
Natural SciencesChemical EngineeringChemistryCatalysisMaterials ChemistryNanomaterialsAlloy DesignCatalyst DesignCatalytic MaterialsNanocatalysisNanomaterials SynthesisThermodynamics Of NanomaterialsAutomobile TechnologyCatalytic NanomaterialsConfigurational EntropyMixing EnthalpyNanocatalyst DesignNanoparticle CatalysisNanoparticle CatalystsNanostructured Catalysts
Abstract Since 1970, people have been making every endeavor to reduce toxic emissions from automobiles. After the development of a three‐way catalyst (TWC) that concurrently converts three harmful gases, carbon monoxide (CO), hydrocarbons (HCs), and nitrogen oxides (NO x ), Rh became an essential element in automobile technology because only Rh works efficiently for catalytic NO x reduction. However, due to the sharp price spike in 2007, numerous efforts have been made to replace Rh in TWCs. Nevertheless, Rh remains irreplaceable, and now, the price of Rh is increasing significantly again. Here, it is demonstrated that PdRuM ternary solid‐solution alloy nanoparticles (NPs) exhibit highly durable and active TWC performance, which will result in a significant reduction in catalyst cost compared to Rh. This work provides insights into the design of highly durable and efficient functional alloy NPs, guiding how to best take advantage of the configurational entropy in addition to the mixing enthalpy.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17