Atomic origins of dendrite formation on alkali and earthalkali metal surfaces

Abstract

"The Li-ion rechargeable battery has been paramount in the on-going transition from a fossil- to a renewable energy-based society, but the state-of-the art Li-ion battery with a graphite anode is approaching its limit with respect to energy density. An exchange of the graphite anode with Li metal can increase the energy density dramatically, but the commercialization of the Li-metal battery has been hampered by performance and safety issues regarding inhomogeneous deposition of Li during repeated charge-discharge cycles. This work investigates the atomic origins of dendrite formation on Li metal surfaces using density functional theory and molecular dynamics simulations. To further enhance our understanding of these atomic origins, the properties of Li are compared to those of other potential metal anodes, in particular Na and Mg."