Nanostructured materials are attractive candidates for efficient electrochemical energy storage devices because of their unique physicochemical properties. Introducing nanotube systems as electrode materials represents one ...
LiMn2O4 spinel (LMO) is a promising cathode material for secondary lithium-ion
batteries which, despite its high average voltage of lithium intercalation, suffers
crystal symmetry lowering due to the Jahn-Teller active ...
Titanium dioxide is among the most abundant materials and it has many of interesting
physical and chemical properties (i.e., low density, high thermal and mechanical
strength, insensitivity to corrosion) that make it ...
This dissertation presents the results of the ab-initio based computational studies of spinel
lithium manganese oxide (LiMn2O4) bulk, surfaces, and the adsorption of an organic
electrolyte, ethylene carbonate. The ...