Oxidative dehydrogenation of cyclohexene on atomically precise subnanometer Cu 4− n Pd n (0 ≤ n ≤ 4) tetramer clusters: the effect of cluster composition and support on performance

Jašík, Juraj; Valtera, Stanislav; Vaidulych, Mykhailo; Bunian, Muntaseer; Lei, Yu; Halder, Avik; Tarábková, Hana; Jindra, Martin; Kavan, Ladislav; Frank, Otakar; Bartling, Stephan; Vajda, Štefan

doi:10.1039/D2FD00108J

Title: Oxidative dehydrogenation of cyclohexene on atomically precise subnanometer Cu _{4− n} Pd _n (0 ≤ n ≤ 4) tetramer clusters: the effect of cluster composition and support on performance

Journal Article · Tue Jan 31 00:00:00 EST 2023 · Faraday Discussions

DOI:https://doi.org/10.1039/D2FD00108J· OSTI ID:1891557

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Department of Nanocatalysis, J. Heyrovský Institute of Physical Chemistry v.v.i., Czech Academy of Sciences, Dolejškova 2155/3, 182 23 Prague 8, Czech Republic
Department of Chemical and Materials Engineering, The University of Alabama in Huntsville, Huntsville, Alabama 35899, USA
Materials Science Division, Argonne National Laboratory, 9600 South Cass Avenue, Lemont, Illinois 60439, USA
Department of Electrochemical Materials, J. Heyrovský Institute of Physical Chemistry v.v.i., Czech Academy of Sciences, Dolejškova 2155/3, 182 23 Prague 8, Czech Republic
Department of Electrochemical Materials, J. Heyrovský Institute of Physical Chemistry v.v.i., Czech Academy of Sciences, Dolejškova 2155/3, 182 23 Prague 8, Czech Republic, Department of Physical Chemistry, University of Chemistry and Technology in Prague, Technická 5, 166 28 Prague, Czech Republic
Leibniz Institute for Catalysis (LIKAT), Albert-Einstein-Strasse 29a, D-18059 Rostock, Germany

The pronounced effects of the composition of four-atom monometallic Cu and Pd and bimetallic CuPd clusters and the support on the catalytic activity and selectivity in the oxidative dehydrogenation of cyclohexene are reported. The ultra-nanocrystalline diamond supported clusters are highly active and dominantly produce benzene; some of the mixed clusters also produce cyclohexadiene, which are all clusters with a much suppressed combustion channel. The also highly active TiO₂-supported tetramers solely produce benzene, without any combustion to CO₂. The selectivity of the zirconia-supported mixed CuPd clusters and the monometallic Cu cluster is entirely different; though they are less active in comparison to clusters with other supports, these clusters produce significant fractions of cyclohexadiene, with their selectivity towards cyclohexadiene gradually increasing with the increasing number of copper atoms in the cluster, reaching about 50% for Cu₃Pd₁. The zirconia-supported copper tetramer stands out from among all the other tetramers in this reaction, with a selectivity towards cyclohexadiene of 70%, which far exceeds those of all the other cluster–support combinations. The findings from this study indicate a positive effect of copper on the stability of the mixed tetramers and potential new ways of fine-tuning catalyst performance by controlling the composition of the active site and via cluster–support interactions in complex oxidative reactions under the suppression of the undesired combustion of the feed.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division; National Science Foundation (NSF); European Union - Horizon 2020 Research and Innovation Programme; European Regional Development Fund (ERDF)

Grant/Contract Number:: DEAC02-06CH11357; AC02-06CH11357; 810310; CBET-1606117

OSTI ID:: 1891557

Alternate ID(s):: OSTI ID: 1923059

Journal Information:: Faraday Discussions, Journal Name: Faraday Discussions Vol. 242; ISSN 1359-6640

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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Title: Oxidative dehydrogenation of cyclohexene on atomically precise subnanometer Cu _{4− n} Pd _n (0 ≤ n ≤ 4) tetramer clusters: the effect of cluster composition and support on performance