Atomic-Scale View at the Segregation of Alkali Metals toward the KTaO3(001) Perovskite Surface
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F24%3A10492152" target="_blank" >RIV/00216208:11320/24:10492152 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Ovh~DPis3e" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Ovh~DPis3e</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acsami.4c13795" target="_blank" >10.1021/acsami.4c13795</a>
Alternative languages
Result language
angličtina
Original language name
Atomic-Scale View at the Segregation of Alkali Metals toward the KTaO3(001) Perovskite Surface
Original language description
Perovskites exhibit outstanding performance in applications such as photocatalysis, electrochemistry, or photovoltaics, yet their practical use is hindered by the instability of these materials under operating conditions, specifically caused by the segregation of alkali cations toward the surface. The problem arises from the bulk strain related to different cation sizes, as well as the inherent electrostatic instability of perovskite surfaces. Here, we focus on atomistic details of the surface-driven process of interlayer switching of alkali atoms at the inorganic perovskite surface. We show that the (001) surface of KTaO3 cleaved at room temperature contains equally populated TaO2 and KO terminations, while the uncompensated polarity of these terminations promotes diffusion of KO from the subsurface toward the topmost surface layer at temperatures as low as 200 degrees C. This effect is directly probed at the atomic scale by Atomic Force Microscopy and the chemical properties of the resulting surfaces are investigated by the adsorption of CO and H2O. The experiments indicate that KO segregation is associated with the formation of K and O vacancies in the near-surface region, which is further supported by depth-dependent X-ray Photoelectron Spectroscopy measurements and Density Functional Theory calculations. Our study shows that the KO segregation influences the surface reactivity both toward CO and water, which was probed at the atomic scale.
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
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ACS Applied Materials & Interfaces
ISSN
1944-8244
e-ISSN
1944-8252
Volume of the periodical
16
Issue of the periodical within the volume
50
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
70010-70019
UT code for WoS article
001375567900001
EID of the result in the Scopus database
2-s2.0-85212459439