Deciphering Lithium Deposition Behavior in Elemental\nAlloy Anodes for Lithium Metal Batteries

Lithium\n(Li) dendrite is one of the most fatal obstacles for developing\npractical high energy Li metal batteries, while Li alloy substrates,\nwith strong lithiophilicity, have attracted increasing interest for\ndirecting uniform Li deposition. However, most of the previous research\nstudies associated Li dendrite inhibition closely with high adsorption\nenergy. Yet, the Li deposition process is not solely about the adsorption\nof an isolated Li atom, where a comprehensive understanding of the\ninterfacial lattice mismatch and the Li atom diffusion should also\nbe taken into account. Here, we explore the Li deposition behavior\nfrom adhesion work, representing interfacial stability and bonding\nstrength, and both Li adsorption and diffusion. It is found that the\noverpotential of Li deposition is inversely related to adhesion work,\nwhile uniform Li deposition requires a high adsorption energy and\nlow Li atom diffusion barrier. These detailed relationships may offer\nguidance for subsequent substrate development.