Se-doped Li<sub>6</sub>PS<sub>5</sub>Cl and Li<sub>5.5</sub>PS<sub>4.5</sub>Cl<sub>1.5</sub> with improved ionic conductivity and interfacial compatibility: a high-throughput DFT study
Ming Jiang, Zhiwen Chen, Adwitiya Rao, Lixin Chen, Xiaotao Zu, Chandra Veer Singh
Abstract
Se dopants improved the Li + ionic conductivity of Li 6 PS 5− x Se x Cl and Li 5.5 PS 4.5− x Se x Cl 1.5 significantly, and Se-doped SSEs showed better interfacial stability with LiCoO 2 than sulfides-type SSEs.
Topics & Concepts
Materials scienceDopingIonic conductivityDopantIonic bondingConductivityLithium (medication)Analytical Chemistry (journal)Physical chemistryInorganic chemistryIonChemistryElectrolyteOptoelectronicsEndocrinologyElectrodeChromatographyOrganic chemistryMedicineAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsInorganic Chemistry and Materials