Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F20%3A00523057" target="_blank" >RIV/61388955:_____/20:00523057 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0307465" target="_blank" >http://hdl.handle.net/11104/0307465</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cctc.201901795" target="_blank" >10.1002/cctc.201901795</a>
Alternative languages
Result language
angličtina
Original language name
Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics
Original language description
Supported subnanometer clusters can exhibit catalytic properties not observed in their bulk analogues. Partially-oxidized Pd and Cu clusters are reported to catalyze the oxidative dehydrogenation of cyclohexane with high activity, and with distinctly different selectivity, producing primarily benzene or cyclohexene, respectively. Under the appliedreaction conditions, the structure and oxidation state of the two catalysts evolve differently, which leads to either the desorption of the cyclohexene intermediate or to its deeper dehydrogenation. Under the applied reaction conditions, the initially oxidized Pd and Cu clusters undergo partial reduction, which we show to be required for the selectivity to emerge. Both systems also have thermal access to multiple distinct structural forms yielding statistical ensembles. The structures within these ensembles evolve with the changing nature of the bound reaction intermediates differently for the two metals. The evolution is found pronounced in the Cu clusters, but only modest in Pd. Ultimately, the different selectivity observed experimentally for the Cu versus Pd clusters is controlled by differences in the collective structural and redox dynamics of their ensembles.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ChemCatChem
ISSN
1867-3880
e-ISSN
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Volume of the periodical
12
Issue of the periodical within the volume
JAN 2020
Country of publishing house
DE - GERMANY
Number of pages
9
Pages from-to
1307-1315
UT code for WoS article
000505076200001
EID of the result in the Scopus database
2-s2.0-85078066446