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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... -
Study of structural and phase transitions of carbon dioxide confined in the n...
The properties of fluids confined in nanopores differ from the bulk mainly due to the solid-fluid interactions and the finite pore size. Such phenomena are of fundamental... -
Carbon dioxide dynamics in a zeolitic imidazolate framework
Metal organic frameworks (MOFs) are three-dimensional networks consisting of metal cations/clusters linked through bridging organic ligands. Containing pores and cavities, such... -
New high pressure hydrates for energy applications.
The need to decarbon the energy economy is one of the greatest technological challenges mankind has ever faced. Gas hydrates offer new clean potential materials for hydrogen... -
The high-pressure structures of carbon dioxide hydrate
The gas hydrates offer potential as hydrogen and carbon dioxide storage materials for use either in transport applications or for carbon sequestration. We have discovered a... -
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...
