New Publication in Adv. Mater.

We are pleased to announce that our latest research paper has been accepted for publication in Adv. Mater.. Here, a rational design strategy is introduced to stabilize HE-LLZO by combining thermodynamic assessments of interfacial reactivity with targeted compositional engineering. Through systematic exploration of element-specific degradation mechanisms, selection criteria for lithium-compatible principal elements are established. Guided by computational screening, unstable dopants are excluded (e.g., Nb, Mo, W, Cr, Bi) that drive interfacial degradation and synthesize a novel HE-LLZO (Li_6.6La₃Zr_0.4Sn_0.4Hf_0.4Sc_0.2Ta_0.6O₁₂) that exhibits high ionic conductivity (3.69 × 10⁻⁴ S cm⁻¹) and stable cycling over 2,500 h. X-ray photoelectron spectroscopy confirms the interfacial stability of Zr, Sn, and Ta while identifying Nb as a destabilizing element. This work provides an integrated computational-experimental framework for understanding element-property relationships in HE oxides, advancing durable SSEs design.