Pd/Co3O4(111) Interface Formation
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F23%3A10468329" target="_blank" >RIV/00216208:11320/23:10468329 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Mal8RBF.xk" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Mal8RBF.xk</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.3c00261" target="_blank" >10.1021/acs.jpcc.3c00261</a>
Alternative languages
Result language
angličtina
Original language name
Pd/Co3O4(111) Interface Formation
Original language description
The formation of the metal-oxide interface in the Pd/Co3O4(111) model catalyst was investigated by means of density functional theory (DFT), synchrotron radiation photo-electron spectroscopy (SRPES), and scanning tunneling micros-copy (STM). The electronic metal-support interaction results in a substantial charge transfer at the interface yielding atomically dispersed Pd2+ species and partially oxidized Pd delta + aggregates coupled with a partial reduction of Co3O4(111). Atomically dispersed Pd2+ species at the fcc site on the Co3O4(111) surface were found to be the most energetically favorable configuration. In comparison to the dispersed Pd2+ species, the formation of Pd dimers, trimers, and tetramers was found to be less favorable. The analysis of the Bader charges revealed a substantial net positive charge on Pd atoms in dimers, trimers, and tetramers which is consistent with the formation of partially oxidized Pd delta+ aggregates detected by SRPES. The analysis of the charge distribution in Co3O4(111) revealed a partial reduction of Co3+ to Co2+ cations in the first and second Co layers. According to DFT, Pd delta+ aggregates are prone to oxidation to PdO in the presence of O2 and H2O. The partially oxidized Pd delta + and Pd4Ox aggregates form 1 to 2 monolayer thick clusters which serve as nuclei for the growth of metallic Pd0 nanoparticles. At high Pd coverage, Pd nanoparticles coalesce resulting in the growth of two-dimensional islands that densely cover the Co3O4(111) substrate.
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
10305 - Fluids and plasma physics (including surface physics)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
1932-7455
Volume of the periodical
127
Issue of the periodical within the volume
12
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
6034-6044
UT code for WoS article
000966948500001
EID of the result in the Scopus database
2-s2.0-85150415023