Mimicking tetravalent dopant behavior using paired charge compensating dopants to improve the redox performance of ceria for thermochemically splitting H2O and CO2
dc.contributor.author
Muhich, Christopher
dc.contributor.author
Hoes, Marie
dc.contributor.author
Steinfeld, Aldo
dc.date.accessioned
2017-11-28T17:09:35Z
dc.date.available
2017-11-20T10:23:43Z
dc.date.available
2017-11-28T17:06:45Z
dc.date.available
2017-11-28T17:09:35Z
dc.date.issued
2018-02-01
dc.identifier.issn
1359-6454
dc.identifier.other
10.1016/j.actamat.2017.11.022
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/210450
dc.identifier.doi
10.3929/ethz-b-000210450
dc.description.abstract
A novel doping strategy based on paired charge compensating dopants is proposed to improve the solar thermochemical H2O and CO2 splitting performance of ceria. Density functional theory based ab initio calculations show that by co-doping trivalent and pentavalent cations into ceria the behavior of the trivalent dopant resembles that of tetravalent dopants. In this study, which investigated combinations of group IIIA and VA elements, it was found that the trivalent dopant identity has the largest effect on the reduction energy, while the pentavalent dopant only slightly modifies it. The trivalent dopant in these materials suppresses the reduction energy due to decreased ionic attraction of the trivalent cation and O2− as compared to Ce4+ and O2−. We predict relative reducing capabilities in the following decreasing order: Hf-CeO2 > ScX-CeO2 > Zr-CeO2 > YX-CeO2 > LaX-CeO2 > undoped CeO2 (where X = V, Nb or Ta). Experimental thermogravimetric analysis confirms the computational predictions.
en_US
dc.format
application/pdf
dc.language.iso
en
en_US
dc.publisher
Elsevier
en_US
dc.rights.uri
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.title
Mimicking tetravalent dopant behavior using paired charge compensating dopants to improve the redox performance of ceria for thermochemically splitting H2O and CO2
en_US
dc.type
Journal Article
dc.rights.license
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
dc.date.published
2017-11-15
ethz.journal.title
Acta Materialia
ethz.journal.volume
144
en_US
ethz.journal.abbreviated
Acta Mater
ethz.pages.start
728
en_US
ethz.pages.end
737
en_US
ethz.version.deposit
publishedVersion
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
Amsterdam
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02130 - Dep. Maschinenbau und Verfahrenstechnik / Dep. of Mechanical and Process Eng.::02668 - Inst. f. Energie- und Verfahrenstechnik / Inst. Energy and Process Engineering::03530 - Steinfeld, Aldo / Steinfeld, Aldo
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02130 - Dep. Maschinenbau und Verfahrenstechnik / Dep. of Mechanical and Process Eng.::02668 - Inst. f. Energie- und Verfahrenstechnik / Inst. Energy and Process Engineering::03530 - Steinfeld, Aldo / Steinfeld, Aldo
en_US
ethz.date.deposited
2017-11-20T10:23:48Z
ethz.source
FORM
ethz.eth
yes
en_US
ethz.availability
Open access
en_US
ethz.rosetta.installDate
2017-11-28T17:06:50Z
ethz.rosetta.lastUpdated
2023-02-06T14:55:14Z
ethz.rosetta.versionExported
true
ethz.COinS
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