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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... -
Geochronology of accessory allanite and monazite in the Barrovian metamorphic...
Major and trace element whole rock compositions. 2. Representative garnet major and trace element analyses. 3. Rutile trace element analyses.4. Allanite major and trace element... -
(Table A8b) Pb isotopic composition of low-U-feldspar in the Barrovian metamo...
This dataset has no description
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(Table A8a) Results of TIMS analysis of rutile and description of grain fract...
Results of TIMS analysis of rutile and description of grain fractions. 206Pb/204Pb ratios are corrected for spike and fractionation only. Radiogenic ratios are corrected for... -
(Table A3) Rutile trace element analyses in the Barrovian metamorphic sequence
Internal Standard TiO2=98 wt% -
TiO2 rutile T=4.0 F=100.0
This dataset has no description
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Structure of lithiated anatase and rutile nanotubes
Bulk and nanoparticulate forms of various phases of titania (anatase, rutile, TiO2-B) act as hosts for Li intercalation but the nanoscale TiO2 can store significantly more Li... -
Donor muonium state in rutile titanium dioxide
Rutile titanium dioxide is one of the most relevant oxide materials, where the impurity physics of hydrogen has recently been devoted much attention. Existing ab-initio... -
Total scattering from mixed-phase samples for software development
This dataset has no description
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Structures of Titanium Dioxide Nanomaterials using Neutron Total Scattering
We propose to examine the structure of anatase titanium dioxide (TiO2) obtained by different synthetic techniques (including hydrothermal and sol-gel) and of different particle... -
Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2-Water Inte...
We investigate the solvation effect of water on the overpotentials of the oxygen evolution reaction on rutile TiO2 by applying the thermodynamic integration method on atomistic... -
Effect of the Solvent on the Oxygen Evolution Reaction at the TiO2-Water Inte...
We investigate the solvation effect of water on the overpotentials of the oxygen evolution reaction on rutile TiO2 by applying the thermodynamic integration method on atomistic...
