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

Лаборатория энергосберегающих каталитических процессов ФЕН

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

Аннотация

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.

Язык оригинала	английский
Страницы (с-по)	1957-1964
Число страниц	8
Журнал	Russian Journal of Physical Chemistry A
Том	93
Номер выпуска	10
DOI	https://doi.org/10.1134/S0036024419100212
Состояние	Опубликовано - 1 окт 2019

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10.1134/S0036024419100212

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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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author = "Pichugina, {D. A.} and Nikitina, {N. A.} and Kuz{\textquoteright}menko, {N. E.} and Potemkin, {D. I.}",

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Effect of Cobalt on the Catalytic Properties of Platinum during the Oxidation of CO : Experimental Data and Quantum-Chemical Simulation. / Pichugina, D. A.; Nikitina, N. A.; Kuz’menko, N. E.; Potemkin, D. I.

В: Russian Journal of Physical Chemistry A, Том 93, № 10, 01.10.2019, стр. 1957-1964.

Результат исследования: Научные публикации в периодических изданиях › статья › рецензирование

TY - JOUR

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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U2 - 10.1134/S0036024419100212

DO - 10.1134/S0036024419100212

M3 - Article

AN - SCOPUS:85073873231

VL - 93

SP - 1957

EP - 1964

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 10

ER -