Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface

D. Fantauzzie; T. Zhu; J.E. Müller; I.A.W. Filot; E.J.M. Hensen; T. Jacob

doi:10.1007/s10562-014-1448-5

Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface

D. Fantauzzie, T. Zhu, J.E. Müller, I.A.W. Filot, E.J.M. Hensen, T. Jacob

Inorganic Materials & Catalysis

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Abstract

A microkinetic model of the oxygen reduction reaction (ORR) on Pt(111) under a gaseous H 2 and O 2 atmosphere is used to predict and explain which compositions of H 2 and O 2 lead to the fastest rate of water formation for temperatures between 600 and 900 K. For a stoichiometric (2:1) mixture of H 2 and O 2 the rate-determing step is found to transition from O ¿ hydrogenation to O 2 ¿ dissociation over this same temperature range. These results are explained in terms of the temperature dependence of the surface coverages of O ¿ and H ¿ and are shown to be consistent with kinetic models aimed at understanding the ORR under electrochemical conditions.

Original language	English
Pages (from-to)	451-457
Number of pages	7
Journal	Catalysis Letters
Volume	145
Issue number	1
DOIs	https://doi.org/10.1007/s10562-014-1448-5
Publication status	Published - 2015

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title = "Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface",

abstract = "A microkinetic model of the oxygen reduction reaction (ORR) on Pt(111) under a gaseous H 2 and O 2 atmosphere is used to predict and explain which compositions of H 2 and O 2 lead to the fastest rate of water formation for temperatures between 600 and 900 K. For a stoichiometric (2:1) mixture of H 2 and O 2 the rate-determing step is found to transition from O ¿ hydrogenation to O 2 ¿ dissociation over this same temperature range. These results are explained in terms of the temperature dependence of the surface coverages of O ¿ and H ¿ and are shown to be consistent with kinetic models aimed at understanding the ORR under electrochemical conditions.",

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T1 - Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface

AU - Fantauzzie, D.

AU - Zhu, T.

AU - Müller, J.E.

AU - Filot, I.A.W.

AU - Hensen, E.J.M.

AU - Jacob, T.

PY - 2015

Y1 - 2015

N2 - A microkinetic model of the oxygen reduction reaction (ORR) on Pt(111) under a gaseous H 2 and O 2 atmosphere is used to predict and explain which compositions of H 2 and O 2 lead to the fastest rate of water formation for temperatures between 600 and 900 K. For a stoichiometric (2:1) mixture of H 2 and O 2 the rate-determing step is found to transition from O ¿ hydrogenation to O 2 ¿ dissociation over this same temperature range. These results are explained in terms of the temperature dependence of the surface coverages of O ¿ and H ¿ and are shown to be consistent with kinetic models aimed at understanding the ORR under electrochemical conditions.

AB - A microkinetic model of the oxygen reduction reaction (ORR) on Pt(111) under a gaseous H 2 and O 2 atmosphere is used to predict and explain which compositions of H 2 and O 2 lead to the fastest rate of water formation for temperatures between 600 and 900 K. For a stoichiometric (2:1) mixture of H 2 and O 2 the rate-determing step is found to transition from O ¿ hydrogenation to O 2 ¿ dissociation over this same temperature range. These results are explained in terms of the temperature dependence of the surface coverages of O ¿ and H ¿ and are shown to be consistent with kinetic models aimed at understanding the ORR under electrochemical conditions.

U2 - 10.1007/s10562-014-1448-5

DO - 10.1007/s10562-014-1448-5

M3 - Article

VL - 145

SP - 451

EP - 457

JO - Catalysis Letters

JF - Catalysis Letters

SN - 1011-372X

IS - 1

ER -

Microkinetic modeling of the oxygen reduction reaction at the Pt(111)/gas interface

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