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Migration of hole polarons in anatase and rutile TiO₂ through piecewise-linea...
This dataset contains the optimized structures of hole polarons in anatase and rutile TiO₂, calculated using the DFT+U and PBE0(α) functionals, with parameters tuned to satisfy... -
TiO2 rutile T=4.0 F=100.0
This dataset has no description
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Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based C...
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based Composition using Neutron Powder Diffraction Technique -
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based C...
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based Composition using Neutron Powder Diffraction Technique-4 -
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based C...
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based Composition using Neutron Powder Diffraction Technique-3 -
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based C...
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based Composition using Neutron Powder Diffraction Technique-2 -
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based C...
Pyrochlore to Defect- Fluorite Transition Studies in Holmium-Titanate based Composition using Neutron Powder Diffraction Technique-5
