CO2 Methanation on Cu-Cluster Decorated Zirconia Supports with Different Morphology: A Combined Experimental In Situ GIXANES/GISAXS, Ex Situ XPS and Theoretical DFT Study
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00543566" target="_blank" >RIV/61388955:_____/21:00543566 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0320753" target="_blank" >http://hdl.handle.net/11104/0320753</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acscatal.0c05029" target="_blank" >10.1021/acscatal.0c05029</a>
Alternative languages
Result language
angličtina
Original language name
CO2 Methanation on Cu-Cluster Decorated Zirconia Supports with Different Morphology: A Combined Experimental In Situ GIXANES/GISAXS, Ex Situ XPS and Theoretical DFT Study
Original language description
Subnanometer copper tetramer-zirconia catalysts turn out to be highly efficient for CO2 hydrogenation and its conversion to methane. The cluster size and substrate morphology are controlled to optimize the catalytic performance. The two types of zirconia supports investigated are prepared by atomic layer deposition (μ3 nm thick film) and supersonic cluster beam deposition (nanostructured film, μ100 nm thick). The substrate plays a crucial role in determining the activity of the catalyst as well as its cyclability over repeated thermal ramps. A temperature-programmed reaction combined with in situ X-ray characterization reveals the correlation between the evolution in the oxidation state and catalytic activity. Ex situ photoelectron spectroscopy indicates Cu clusters with stronger interactions with the nanostructured film, which can be the cause for the higher activity of this catalyst. Density functional theory calculations based on the Cu4O2 cluster supported on a ZrOx subunit reveal low activation barriers and provide mechanism for CO2 hydrogenation and its conversion to methane. Altogether, the results show a new way to tune the catalytic activity of CO2 hydrogenation catalysts through controlling the morphology of the support at the nanoscale.
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
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ACS Catalysis
ISSN
2155-5435
e-ISSN
2155-5435
Volume of the periodical
11
Issue of the periodical within the volume
10
Country of publishing house
US - UNITED STATES
Number of pages
15
Pages from-to
6210-6224
UT code for WoS article
000656056200032
EID of the result in the Scopus database
2-s2.0-85106358211