A comparative study of CO preferential oxidation over Pt and Pt0.5Co0.5 nanoparticles: Kinetic study and quantum-chemical calculations

D. I. Potemkin; E. Yu Filatov; A. V. Zadesenets; A. M. Gorlova; N. A. Nikitina; D. A. Pichugina

doi:10.1016/j.matlet.2019.126915

A comparative study of CO preferential oxidation over Pt and Pt_0.5Co_0.5 nanoparticles: Kinetic study and quantum-chemical calculations

D. I. Potemkin, E. Yu Filatov, A. V. Zadesenets, A. M. Gorlova, N. A. Nikitina, D. A. Pichugina

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

5 Цитирования (Scopus)

Аннотация

CO preferential (PROX) and total (TOX) oxidation were studied over Pt and Pt_0.5Co_0.5 nanopowders. Pt_0.5Co_0.5 exhibited much higher CO PROX performance than Pt, being highly active and selective at 0–80 °C. Low-temperature activity in CO oxidation was shown to be the key feature of bimetallic Pt-Co catalysts in comparison with monometallic Pt. Density functional theory calculations of the oxidation of CO on Pt₁₃ and Pt₁₂Co clusters revealed that a better catalytic activity of bimetallic cluster is due to an electronic effect: the calculated atomic charges on platinum atoms change when cobalt is introduced into its composition.

Язык оригинала	английский
Номер статьи	126915
Число страниц	3
Журнал	Materials Letters
Том	260
DOI	https://doi.org/10.1016/j.matlet.2019.126915
Состояние	Опубликовано - 1 февр. 2020

Предметные области OECD FOS+WOS

1.03 ФИЗИЧЕСКИЕ НАУКИ И АСТРОНОМИЯ
2.05 ТЕХНОЛОГИЯ МАТЕРИАЛОВ

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10.1016/j.matlet.2019.126915

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title = "A comparative study of CO preferential oxidation over Pt and Pt0.5Co0.5 nanoparticles: Kinetic study and quantum-chemical calculations",

abstract = "CO preferential (PROX) and total (TOX) oxidation were studied over Pt and Pt0.5Co0.5 nanopowders. Pt0.5Co0.5 exhibited much higher CO PROX performance than Pt, being highly active and selective at 0–80 °C. Low-temperature activity in CO oxidation was shown to be the key feature of bimetallic Pt-Co catalysts in comparison with monometallic Pt. Density functional theory calculations of the oxidation of CO on Pt13 and Pt12Co clusters revealed that a better catalytic activity of bimetallic cluster is due to an electronic effect: the calculated atomic charges on platinum atoms change when cobalt is introduced into its composition.",

keywords = "Bimetallic catalysts, Density functional theory, Interfaces, Nanoparticles, Preferential CO oxidation, Pt-Co catalysts, CATALYSIS, HYDROGEN, SELECTIVE OXIDATION, ALLOYS, MODEL, DOUBLE COMPLEX SALT",

author = "Potemkin, {D. I.} and Filatov, {E. Yu} and Zadesenets, {A. V.} and Gorlova, {A. M.} and Nikitina, {N. A.} and Pichugina, {D. A.}",

note = "The work was supported by the Russian Science Foundation under the Project. 19-73-00157 (D.I. Potemkin, A.M. Gorlova). This work was performed on equipment of the High Performance Computing Resources center of Moscow State University. Publisher Copyright: {\textcopyright} 2019 Elsevier B.V. Copyright: Copyright 2019 Elsevier B.V., All rights reserved.",

year = "2020",

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doi = "10.1016/j.matlet.2019.126915",

language = "English",

volume = "260",

journal = "Materials Letters",

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A comparative study of CO preferential oxidation over Pt and Pt_0.5Co_0.5 nanoparticles: Kinetic study and quantum-chemical calculations. / Potemkin, D. I.; Filatov, E. Yu ; Zadesenets, A. V. и др.

В: Materials Letters, Том 260, 126915, 01.02.2020.

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

TY - JOUR

T1 - A comparative study of CO preferential oxidation over Pt and Pt0.5Co0.5 nanoparticles: Kinetic study and quantum-chemical calculations

AU - Potemkin, D. I.

AU - Filatov, E. Yu

AU - Zadesenets, A. V.

AU - Gorlova, A. M.

AU - Nikitina, N. A.

AU - Pichugina, D. A.

N1 - The work was supported by the Russian Science Foundation under the Project. 19-73-00157 (D.I. Potemkin, A.M. Gorlova). This work was performed on equipment of the High Performance Computing Resources center of Moscow State University. Publisher Copyright: © 2019 Elsevier B.V. Copyright: Copyright 2019 Elsevier B.V., All rights reserved.

PY - 2020/2/1

Y1 - 2020/2/1

N2 - CO preferential (PROX) and total (TOX) oxidation were studied over Pt and Pt0.5Co0.5 nanopowders. Pt0.5Co0.5 exhibited much higher CO PROX performance than Pt, being highly active and selective at 0–80 °C. Low-temperature activity in CO oxidation was shown to be the key feature of bimetallic Pt-Co catalysts in comparison with monometallic Pt. Density functional theory calculations of the oxidation of CO on Pt13 and Pt12Co clusters revealed that a better catalytic activity of bimetallic cluster is due to an electronic effect: the calculated atomic charges on platinum atoms change when cobalt is introduced into its composition.

AB - CO preferential (PROX) and total (TOX) oxidation were studied over Pt and Pt0.5Co0.5 nanopowders. Pt0.5Co0.5 exhibited much higher CO PROX performance than Pt, being highly active and selective at 0–80 °C. Low-temperature activity in CO oxidation was shown to be the key feature of bimetallic Pt-Co catalysts in comparison with monometallic Pt. Density functional theory calculations of the oxidation of CO on Pt13 and Pt12Co clusters revealed that a better catalytic activity of bimetallic cluster is due to an electronic effect: the calculated atomic charges on platinum atoms change when cobalt is introduced into its composition.

KW - Bimetallic catalysts

KW - Density functional theory

KW - Interfaces

KW - Nanoparticles

KW - Preferential CO oxidation

KW - Pt-Co catalysts

KW - CATALYSIS

KW - HYDROGEN

KW - SELECTIVE OXIDATION

KW - ALLOYS

KW - MODEL

KW - DOUBLE COMPLEX SALT

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DO - 10.1016/j.matlet.2019.126915

M3 - Article

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JO - Materials Letters

JF - Materials Letters

SN - 0167-577X

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