Oxygen Atom Exchange between Gaseous CO2 and TiO2 Nanoclusters
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F15%3A00446907" target="_blank" >RIV/61388955:_____/15:00446907 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp512059b" target="_blank" >http://dx.doi.org/10.1021/jp512059b</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp512059b" target="_blank" >10.1021/jp512059b</a>
Alternative languages
Result language
angličtina
Original language name
Oxygen Atom Exchange between Gaseous CO2 and TiO2 Nanoclusters
Original language description
Isotopic exchange of oxygen atoms between gaseous (CO2)-O-18 and (TiO2)-O-16 nanoparticles has been studied using high-resolution Fourier transform infrared absorption and first-principles density functional theory calculations. The rate of formation ofgaseous (CO2)-O-16 is found to be highly dependent on the nature of the titania sample, growing with increasing calcination temperature (i.e., with decreasing surface area) for both quasi-amorphous and crystalline samples. The unprecedented faster kinetics on high-surface-area titania made from Ti(IV) isopropoxide points at fundamental differences between this material and the usual nanocrystalline TiO2 (anatase). This is attributed to unique cluster-like structure of the noncalcined ex-isopropoxide titania. The experimental observations are rationalized by calculations of the activation barriers for oxygen exchange on a (TiO2)(10) cluster. The calculations predict that titanium nanoclusters with 4-fold coordinated titanium atoms have m
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
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
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Volume of the periodical
119
Issue of the periodical within the volume
7
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
3605-3612
UT code for WoS article
000349942400021
EID of the result in the Scopus database
2-s2.0-84923320534