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dc.contributor.authorYoon, Songhak
dc.contributor.authorGaul, Michael
dc.contributor.authorSharma, Sitansh
dc.contributor.authorSon, Kwanghyo
dc.contributor.authorHagemann, Hans
dc.contributor.authorZiegenbalg, Dirk
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorWidenmeyer, Marc
dc.contributor.authorWeidenkaff, Anke
dc.date.accessioned2018-02-13T13:43:19Z
dc.date.available2018-02-13T13:43:19Z
dc.date.issued2018-02-09
dc.identifier.citationYoon S, Gaul M, Sharma S, Son K, Hagemann H, et al. (2018) Photocatalytic CO 2 reduction by Cr-substituted Ba 2 (In 2-x Cr x )O 5 ·(H 2 O) δ (0.04 ≤ x ≤ 0.60). Solid State Sciences. Available: http://dx.doi.org/10.1016/j.solidstatesciences.2018.02.005.
dc.identifier.issn1293-2558
dc.identifier.doi10.1016/j.solidstatesciences.2018.02.005
dc.identifier.urihttp://hdl.handle.net/10754/627123
dc.description.abstractCr-substituted polycrystalline Ba2(In2-xCrx)O5·(H2O)δ powders (0.04 ≤ x ≤ 0.60) were synthesized by solid state reaction to investigate the relation of crystal structure, thermochemical, magnetic, and optical properties. The Cr-substitution results in an unit cell expansion and formation of the higher-symmetric tetragonal phase together with increased oxygen and hydrogen contents. Magnetic property measurements reveal that the diamagnetic pristine Ba2In2O5·(H2O)δ becomes magnetically ordered upon Cr-substitution. By UV–vis spectroscopy a gradual shift of the absorption-edge energy to lower values was observed. Numerical calculations showed that the observed bandgap narrowing was ascribed to the Cr induced states near the Fermi level. The correlation between the changes of crystal chemistry, magnetic, and optical properties of Cr-substituted Ba2(In2-xCrx)O5·(H2O)δ can be explained by the replacement of In by Cr. Consequently, an enhanced photocatalytic CO2 reduction activity was observed with increasing Cr substitution, compatible with the state-of-the-art high surface area TiO2 photocatalyst (P-25).
dc.description.sponsorshipThe authors wish to express their thanks to Mr. Samir Hammoud for chemical analysis and B.Sc. Maximilian Hackner for UV–visible diffuse reflectance measurements. We also acknowledge Dr. Eberhard Goering for his support with MPMS magnetometry and Mr Cedric Schnyder (Natural History Museum of Geneva) for the additional Raman spectroscopy measurements. Dr. Angelika Veziridis is acknowledged for helpful discussions and comments. This work was financially supported by the Vector Stiftung (project number 2015-044) and the Swiss National Science Foundation (project number 200021_169033/1). The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
dc.publisherElsevier BV
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S1293255817311688
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Solid State Sciences. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Solid State Sciences, [, , (2018-02-09)] DOI: 10.1016/j.solidstatesciences.2018.02.005 . © 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectPhotocatalytic CO2 reduction
dc.subjectBa2In2O5
dc.subjectDFT
dc.subjectCr-substitution
dc.subjectLe Bail fit
dc.subjectCrystal chemistry
dc.subjectMagnetic property
dc.subjectOptical property
dc.titlePhotocatalytic CO2 reduction by Cr-substituted Ba2 (In2-xCrx)O5·(H2O)δ (0.04 ≤ x ≤ 0.60)
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalSolid State Sciences
dc.eprint.versionPost-print
dc.contributor.institutionInstitute for Materials Science, University of Stuttgart, Heisenbergstrasse 3, D-70569 Stuttgart, Germany
dc.contributor.institutionInstitute of Technical Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany
dc.contributor.institutionDepartment of Modern Magnetic Systems, Max Planck Institute for Intelligent Systems, Heisenbergstrasse 3, D-70569 Stuttgart, Germany
dc.contributor.institutionDépartement de Chimie Physique, Université de Genève, 30, quai E. Ansermet, CH-1211 Geneva 4, Switzerland
kaust.personSharma, Sitansh
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2020-02-09T00:00:00Z
dc.date.published-online2018-02-09
dc.date.published-print2018-04


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