Ab-initio study of structure, conductivity and thermodynamics of doped and non-stoichiometric ceria

CoordinatorMartin, Manfred
Grant period2014-11-01 - 2019-10-31
Funding bodyVSR/JARA
IdentifierG:(DE-Juel1)jara0035_20141101

Ab-initio study of structure, conductivity and thermodynamics of pure and doped ceria

Note: JSC computation time grant
 

Recent Publications

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The oxygen ion conductivity of Lu doped ceria
Journal of physics / Condensed matter 32(26), 265402 - () [10.1088/1361-648X/ab7d64] BibTeX | EndNote: XML, Text | RIS

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The ionic conductivity of Sm‐doped ceria
Journal of the American Ceramic Society 103(6), 3776 - 3787 () [10.1111/jace.17066] BibTeX | EndNote: XML, Text | RIS

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Defect formation and migration in Nasicon $Li_{1+x}Al_xTi_{2−x}(PO_4)_3$
Physical chemistry, chemical physics 21(43), 24232 - 24238 () [10.1039/C9CP04792A] Embargoed OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Coordination Numbers in Sm-Doped Ceria Using X-ray Absorption Spectroscopy
The journal of physical chemistry <Washington, DC> / C C, Nanomaterials and interfaces 123(11), 6333 - 6339 () [10.1021/acs.jpcc.8b10494] BibTeX | EndNote: XML, Text | RIS

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Influence of the lattice constant on defects in cerium oxide
Physical chemistry, chemical physics 20(30), 19792 - 19799 () [10.1039/C8CP03677B]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Modeling Oxygen Ion Migration in the CeO 2 –ZrO 2 –Y 2 O 3 Solid Solution
The journal of physical chemistry <Washington, DC> / C C, Nanomaterials and interfaces 122(33), 18809 - 18817 () [10.1021/acs.jpcc.8b04361]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Ab initio calculation of the attempt frequency of oxygen diffusion in pure and samarium doped ceria
Physical chemistry, chemical physics 19(15), 9957 - 9973 () [10.1039/C6CP04802A]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Defect Interactions in the CeO$_{2}$–ZrO$_{2}$–Y$_{2}$O$_{3}$ Solid Solution
The journal of physical chemistry <Washington, DC> / C 121(28), 15078 - 15084 () [10.1021/acs.jpcc.7b03507]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Influence of defect interactions on the free energy of reduction in pure and doped ceria-hpc
Journal of materials chemistry / A 5(19), 9241 - 9249 () [10.1039/C7TA00056A]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
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 Record created 2016-09-21, last modified 2018-11-19



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