Li*diffusion in TiO2 Anatase unit cell Modelling data: Li ions diffuse along the zigzag pathway and reside at the octahedral voids. The diffusion pathway is approximately along the c-direction. Energy barrier is lowest across (001)plane Hypothesis: Building nanostructured TiO2 with exposed(001)plane(perpendicular a to c-axis)will probably facilitate Lit diffusion in anatase. O Ti L计 Li'diffusion path 66 Anatase unit cell Modelling data: • Li ions diffuse along the zigzag pathway and reside at the octahedral voids. • The diffusion pathway is approximately along the c-direction. • Energy barrier is lowest across (001) plane Hypothesis:  Building nanostructured TiO2 with exposed (001) plane (perpendicular to c-axis) will probably facilitate Li+ diffusion in anatase. Li+ diffusion in TiO2