Effect of Cobalt on the Catalytic Properties of Platinum during the Oxidation of CO: Experimental Data and Quantum-Chemical Simulation

D. A. Pichugina; N. A. Nikitina; N. E. Kuz’menko; D. I. Potemkin

doi:10.1134/S0036024419100212

Effect of Cobalt on the Catalytic Properties of Platinum during the Oxidation of CO: Experimental Data and Quantum-Chemical Simulation

D. A. Pichugina, N. A. Nikitina, N. E. Kuz’menko, D. I. Potemkin

Energy-Saving Catalytic Processes Laboratory

Research output: Contribution to journal › Article › peer-review

Abstract

Abstract: The oxidation of CO over Pt and Pt–Co catalysts was studied both experimentally and by quantum-chemistry calculations. Density functional theory simulation shows that CO is oxidized on Pt₁₃ via dissociative oxygen adsorption. The calculated activation energy for the dissociation of O₂ on Pt₁₃ is 56 kJ/mol. It is found that when a cobalt atom is introduced into the cluster, the activation energy falls for the stages of CO oxidation and the dissociation of O₂. Catalytic tests performed on Pt and Pt_0.5Co_0.5 nanopowders confirm the Pt–Co system displays high activity in the oxidation of CO.

Original language	English
Pages (from-to)	1957-1964
Number of pages	8
Journal	Russian Journal of Physical Chemistry A
Volume	93
Issue number	10
DOIs	https://doi.org/10.1134/S0036024419100212
Publication status	Published - 1 Oct 2019

Keywords

bimetallic particle
catalysis
CO oxidation
nanocluster
reaction mechanism
EVOLUTION
PT-13
NI
PREFERENTIAL OXIDATION
SURFACES

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title = "Effect of Cobalt on the Catalytic Properties of Platinum during the Oxidation of CO: Experimental Data and Quantum-Chemical Simulation",

abstract = "Abstract: The oxidation of CO over Pt and Pt–Co catalysts was studied both experimentally and by quantum-chemistry calculations. Density functional theory simulation shows that CO is oxidized on Pt13 via dissociative oxygen adsorption. The calculated activation energy for the dissociation of O2 on Pt13 is 56 kJ/mol. It is found that when a cobalt atom is introduced into the cluster, the activation energy falls for the stages of CO oxidation and the dissociation of O2. Catalytic tests performed on Pt and Pt0.5Co0.5 nanopowders confirm the Pt–Co system displays high activity in the oxidation of CO.",

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T1 - Effect of Cobalt on the Catalytic Properties of Platinum during the Oxidation of CO

T2 - Experimental Data and Quantum-Chemical Simulation

AU - Pichugina, D. A.

AU - Nikitina, N. A.

AU - Kuz’menko, N. E.

AU - Potemkin, D. I.

PY - 2019/10/1

Y1 - 2019/10/1

N2 - Abstract: The oxidation of CO over Pt and Pt–Co catalysts was studied both experimentally and by quantum-chemistry calculations. Density functional theory simulation shows that CO is oxidized on Pt13 via dissociative oxygen adsorption. The calculated activation energy for the dissociation of O2 on Pt13 is 56 kJ/mol. It is found that when a cobalt atom is introduced into the cluster, the activation energy falls for the stages of CO oxidation and the dissociation of O2. Catalytic tests performed on Pt and Pt0.5Co0.5 nanopowders confirm the Pt–Co system displays high activity in the oxidation of CO.

AB - Abstract: The oxidation of CO over Pt and Pt–Co catalysts was studied both experimentally and by quantum-chemistry calculations. Density functional theory simulation shows that CO is oxidized on Pt13 via dissociative oxygen adsorption. The calculated activation energy for the dissociation of O2 on Pt13 is 56 kJ/mol. It is found that when a cobalt atom is introduced into the cluster, the activation energy falls for the stages of CO oxidation and the dissociation of O2. Catalytic tests performed on Pt and Pt0.5Co0.5 nanopowders confirm the Pt–Co system displays high activity in the oxidation of CO.

KW - bimetallic particle

KW - catalysis

KW - CO oxidation

KW - nanocluster

KW - reaction mechanism

KW - EVOLUTION

KW - PT-13

KW - NI

KW - PREFERENTIAL OXIDATION

KW - SURFACES

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