6533b7dafe1ef96bd126e11f
RESEARCH PRODUCT
Dopant solubility in ceria: alloy thermodynamics combined with the DFT+U calculations
David FuksEugene A. KotominEugene A. KotominEugene A. KotominAndrei ChesnokovJoachim MaierDenis Gryaznovsubject
Materials scienceSolid solutionAlloyThermodynamics02 engineering and technologyengineering.material010402 general chemistry01 natural sciences7. Clean energyIonTb:NATURAL SCIENCES:Physics [Research Subject Categories]General Materials ScienceSolubilityDopantGeneral ChemistryAtmospheric temperature range021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesSolubilityAb initioengineeringThermodynamicsDensity functional theory0210 nano-technologyStoichiometrySolid solutionCeO2description
This research was partly funded by the Russian Science Foundation (under the project 14-43-0005) and ERA-NET HarvEnPiez project, with the computer resources provided by Stuttgart Supercomputing Centre (Project DEFTD 12939). A. C. also acknowledges financial support from the University of Latvia Foundation (Arnis Riekstins’s ‘‘MikroTik’’ donation). Authors thank R. Merkle, A. Popov for fruitful discussions.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2018-11-01 |