  We introduce an adhesion parameter that enables rapid screening for materials
interfaces with high adhesion. This parameter is obtained by density functional
theory calculations of individual single-material slabs rather than slabs
consisting of combinations of two materials, eliminating the need to calculate
all configurations of a prohibitively vast space of possible interface
configurations. Cleavage energy calculations are used as an upper bound for
electrolyte and coating energies and implemented in an adapted contact angle
equation to derive the adhesion parameter. In addition to good adhesion, we
impose further constraints in electrochemical stability window, abundance, bulk
reactivity, and stability to screen for coating materials for next-generation
solid-state batteries. Good adhesion is critical in combating delamination and
resistance to Lithium diffusivity in solid-state batteries. Here, we identify
several promising coating candidates for the Li7La3Zr2O12 and sulfide
electrolyte systems including the previously investigated electrode coating
materials LiAlSiO4 and Li5AlO8, making them especially attractive for
experimental optimization and commercialization.
