Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
A comparative study of CO preferential oxidation over Pt and Pt0.5Co0.5 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.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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
UR - http://www.scopus.com/inward/record.url?scp=85075443904&partnerID=8YFLogxK
U2 - 10.1016/j.matlet.2019.126915
DO - 10.1016/j.matlet.2019.126915
M3 - Article
AN - SCOPUS:85075443904
VL - 260
JO - Materials Letters
JF - Materials Letters
SN - 0167-577X
M1 - 126915
ER -
ID: 22403327