A detailed insight into the catalytic reduction of NO operated by Cr–Cu nanostructures embedded in a CeO2 surface
Literature Information
Mauro Boero, Kazuki Tamai
Replacing rare and expensive elements, such as Pt, Pd, and Rh, commonly used in catalytic devices with more abundant and less expensive ones is mandatory to realize efficient, sustainable and economically appealing three-way catalysts. In this context, the surface of a Cr–Cu/CeO2 system represents a versatile catalyst for the conversion of toxic NO into harmless N2. Yet, a clear picture of the underlying mechanism is still missing. We provide here a detailed insight into such a reaction mechanism by means of a combined experimental and theoretical study. Fourier-transform infrared spectroscopy is used to detect all the products resulting from catalytic reactions of NO and CO on the surface of a Cr–Cu/CeO2 nanocatalyst. CO pulsing experiments unveil that reactions of CO with O atoms at the Cr–Cu/CeO2 surface are the major factors responsible for the formation of surface vacancies. On these grounds, a comprehensive picture of the NO reduction and the role of both Cu and Cr dopants and vacancies is rationalized by first-principles modeling. Our findings provide a general route for the realization of ceria-based cost-effective catalysts.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













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