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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... -
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... -
New morphologies of functional metal oxide nanoparticles
The morphologies of metal oxide nanoparticles may be varied by imposition of an electric field during growth. These varying morphologies give improved efficiencies for gas... -
Total scattering from mixed-phase samples for software development
This dataset has no description
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Phase behaviour of nano-sized ion-inserted compounds
Insertion reactions are of key importance for Li-ion and Hydrogen storage materials and energy storage devices. Nano-sizing the electrode materials has emerged as a promising... -
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... -
Test of a New Supercritical In-Situ Hydrothermal Cell
The objectives of this proposal is to seek 2 days on POLARIS in order to test and complete a full commissioning of the latest design of our prototype in-situ reaction cell for...
