Structure-Property Relationships of Novel Oxides for Li-Ion Batteries
Li-ion batteries with oxide cathodes are attractive for hybrid electric vehicles due to their high energy-storage capacity and rapid Li-ion transport. Titanium dioxide (TiO2) has been investigated as a battery anode material for its low cost, safety, and fast charge-discharge rate. The TiO2-B polymorph in particular shows a favorable channel structure for lithium mobility. However, the performance of TiO2-B batteries lags theoretical predictions, perhaps due to molecular impurities such as water during processing. We propose an integrated synthesis, in-situ characterization, and modeling study to investigate the structure-property relationships of TiO2-B synthesized using both liquid route and pulsed laser deposition in vacuum. The performance of these materials in battery cells will be tested. The microstructures and evolution during charge-discharge will be characterized by x-ray diffraction and atomic resolution transmission electron microscopy. Theoretical calculations with first-principles methods will complement experiment and provide fundamental insight into the properties of oxide Li-ion batteries.
Published in Chemistry of Materials, 2015