Dynamics of Carbon Monoxide Oxidation on Platinum PDF Download
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Author: Sean Xianming Zhang
Publisher:
ISBN:
Category :
Languages : en
Pages : 174
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Author: Sean Xianming Zhang
Publisher:
ISBN:
Category :
Languages : en
Pages : 174
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Author: George William Coulston
Publisher:
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Category :
Languages : en
Pages :
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Author: Steven Y. Yamamoto
Publisher:
ISBN:
Category :
Languages : en
Pages : 294
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Author: Thomas Liang-Shi Peng
Publisher:
ISBN:
Category :
Languages : en
Pages : 414
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Author: Alfred J. Francis
Publisher:
ISBN:
Category : Carbon monoxide
Languages : en
Pages : 186
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Author: Laura Christine Carrington
Publisher:
ISBN:
Category :
Languages : en
Pages : 520
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Author: Linda Ellen Gouse
Publisher:
ISBN:
Category :
Languages : en
Pages : 420
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Author:
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Category :
Languages : en
Pages :
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The catalytic oxidation activity of platinum particles in automobile catalysts is thought to originate from the presence of highly reactive superficial oxide phases which form under oxygen-rich reaction conditions. The thermodynamic stability of platinum oxide surfaces and thin films was studied, as well as their reactivities towards oxidation of carbon compounds by means of first-principles atomistic thermodynamics calculations and molecular dynamics simulations based on density functional theory. On the Pt(111) surface the most stable superficial oxide phase is found to be a thin layer of alpha-PtO2, which appears not to be reactive towards either methane dissociation or carbon monoxide oxidation. A PtO-like structure is most stable on the Pt(100) surface at oxygen coverages of one monolayer, while the formation of a coherent and stress-free Pt3O4 film is favoured at higher coverages. Bulk Pt3O4 is found to be thermodynamically stable in a region around 900 K at atmospheric pressure. The computed net driving force for the dissociation of methane on the Pt3O4(100) surface is much larger than on all other metallic and oxide surfaces investigated. Moreover, the enthalpy barrier for the adsorption of CO molecules on oxygen atoms of this surface is as low as 0.34 eV, and desorption of CO2 is observed to occur without any appreciable energy barrier in molecular dynamics simulations. These results, combined, indicate a high catalytic oxidation activity of Pt3O4 phases that can be relevant in the contexts of Pt-based automobile catalysts and gas sensors.
Author: Christopher Dale Lund
Publisher:
ISBN:
Category :
Languages : en
Pages : 286
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Author: Vladimir Hlavacek
Publisher: CRC Press
ISBN: 9782881241116
Category : Science
Languages : en
Pages : 328
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