TY - JOUR
T1 - Kinetics of cluster shape sensitive heterogeneous catalytic reactions
AU - Murzin, Dmitry Yu
N1 - Publisher Copyright:
© 2021 The Author(s)
PY - 2021/12/1
Y1 - 2021/12/1
N2 - The theoretical framework for analysis of heterogeneous catalytic reactions on metals clusters sensitive to the cluster shape has been developed. Cubooctahedrons, cubes and semi-spherical particles have been considered having a different number of edge, corner, terrace and perimeter sites. A general expression of size/shape dependent kinetics is derived for multi-step reactions relating the Gibbs energy for elementary steps, comprising the reaction network, with the Gibbs energy of adsorbed intermediates on different sites. A comparison of the turnover frequency for catalytic reactions on cuboctahedrons and cubes of the same size is provided for a two-step sequence and a Langmuir-Hinshelwood mechanism.
AB - The theoretical framework for analysis of heterogeneous catalytic reactions on metals clusters sensitive to the cluster shape has been developed. Cubooctahedrons, cubes and semi-spherical particles have been considered having a different number of edge, corner, terrace and perimeter sites. A general expression of size/shape dependent kinetics is derived for multi-step reactions relating the Gibbs energy for elementary steps, comprising the reaction network, with the Gibbs energy of adsorbed intermediates on different sites. A comparison of the turnover frequency for catalytic reactions on cuboctahedrons and cubes of the same size is provided for a two-step sequence and a Langmuir-Hinshelwood mechanism.
KW - Kinetics of catalytic reactions
KW - Metal cluster
KW - Shape dependence
KW - Structure sensitivity
UR - http://www.scopus.com/inward/record.url?scp=85108108448&partnerID=8YFLogxK
U2 - 10.1016/j.cej.2021.130642
DO - 10.1016/j.cej.2021.130642
M3 - Article
AN - SCOPUS:85108108448
SN - 1385-8947
VL - 425
JO - Chemical Engineering Journal
JF - Chemical Engineering Journal
M1 - 130642
ER -