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Issue 2, 2015
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Oxidation of NO on Pt/M (M = Pt, Co, Fe, Mn): a first-principles density functional theory study

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Abstract

Platinum is commonly used as a catalyst for the oxidation of NO in exhaust gas purification systems. However, in addition to its high cost, the intrinsic NO + O → NO2 reaction is endothermic and the rate-limiting O2,gas dissociative adsorption is activated on Pt(111). In this paper, we show for the first time that the pseudomorphic Pt monolayer on 3d transition metals promotes a thermodynamically and kinetically favorable NO oxidation compared to pure Pt. Using density functional theory-based first principles calculations, we show that such results are attributed to the weaker binding of O and NO on the bimetallic surfaces and the change of the binding configuration of NO2 into a structure that promotes easier N–O bond formation. These results provide insights into the design of low-cost and efficient catalysts for NO oxidation.

Graphical abstract: Oxidation of NO on Pt/M (M = Pt, Co, Fe, Mn): a first-principles density functional theory study

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Publication details

The article was received on 11 Jul 2014, accepted on 27 Sep 2014 and first published on 15 Oct 2014


Article type: Paper
DOI: 10.1039/C4CY00907J
Citation: Catal. Sci. Technol., 2015,5, 882-886
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    Oxidation of NO on Pt/M (M = Pt, Co, Fe, Mn): a first-principles density functional theory study

    R. L. Arevalo, K. Oka, H. Nakanishi, H. Kasai, H. Maekawa, K. Osumi and N. Shimazaki, Catal. Sci. Technol., 2015, 5, 882
    DOI: 10.1039/C4CY00907J

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