Research output: Contribution to journal › Article › peer-review
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. et al.
In: Russian Journal of Physical Chemistry A, Vol. 93, No. 10, 01.10.2019, p. 1957-1964.Research output: Contribution to journal › Article › peer-review
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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.
N1 - Publisher Copyright: © 2019, Pleiades Publishing, Ltd.
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
UR - http://www.scopus.com/inward/record.url?scp=85073873231&partnerID=8YFLogxK
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 -
ID: 21996677