Two-dimensional hexagonal sheet of TiO2: a promising candidate for use as anode material in Li-ion batteries

Lithium ion batteries are the main energy storage. High capacity and safety are critical issues in using the batteries to power electric vehicles. In the present work we introduce a hexagonal two dimensional sheet of TiO2 which due to its low density has remarkable properties regarded in using as anode material in lithium-ion battery. It can sustain high amounts of strain and stress. Its surface area can expand up to 24% under strain while its thickness changes are negligible. The present results show that it has high energy capacity, more than twice that of TiO2-B, a phase of TiO2 which has the the highest capacity among the TiO2 polymorph. Its adsorption energy for Li intercalation is more than bulk Li which avoids the metallic Li formation and provides inherent safety.