A First Principles Study of Hydrogen Intercalation in Rutile Structured Titania

First principles predictions for intercalation behaviour

Hydrogen Intercalation Sites in Rutile Predicted from Ab Inition Calculations

Orthorhombic disortion on Li Intercalation in Anatase

First principles predictions for intercalation behaviour

A new phase of lithiated titania predicted from first priciples

Diffusion of Li-ions in rutile. An ab initio study

Phase Transformations of Anatase TiO2 on Cation Intercalation from First Principles

Influence of doping on the electrochemical properties of anatase TiO2

Density-functional simulations of lithium intercalation in rutile

Structural Deformations in Lithium Doped Titanium Dioxide

Effect of substitution on Li-intercalation in Anatase

Phase transformations of anatase TiO2 on cation intercalation from first principles simulation

Phase transformation on cation intercalation in anatese from first principle

Open circuit voltage profile for Li-intercalation in rutile and anatase from first principles

Effect of Diffusion on Lithium Intercalation in Titanium Dioxide.