DFT investigation on effectiveness of Beryllium-doped and defective graphene for anode material in lithium-ion batteries.

Lithium-ion batteries employing graphite as the anode material are now widely used in powering electronic gadgets like, mobile phones, laptops, electronic watches and calculators and also to provide required power to run engine of electric vehicles. However, storage capacity, open circuit voltage, energy density and battery life are the major considerations on which researchers are trying different alternatives to achieve better performance of the battery. In this research, Beryllium-doped and defective graphenes have been investigated by employing the <italic>ab initio</italic> DFT method. It has been found that graphene with a defect and Be–doped graphene with defects can serve as an efficient materials for anode in Li-ion batteries. [ABSTRACT FROM AUTHOR]