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Accurate description of Ce 4f states in reduced ceria using SCC-DFTB+U simulations
Accurate description of Ce 4f states in reduced ceria using SCC-DFTB+U simulations
2021
Bojana Kocmaruk
Akshay Krishna Ammothum Kandy
Jolla Kullgren
Peter Broqvist
Keywords:
Thermodynamics
Solid-state chemistry
Materials science
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