First-principles study of superionic Na<sub>9+x</sub>Sn<sub>x</sub>M<sub>3−x</sub>S<sub>12</sub> (M = P, Sb)
Anastassia Sorkin, Stefan Adams
Abstract
Among the Na<sub>9+x</sub>Sn<sub>x</sub>M<sub>3−x</sub>S<sub>12</sub> fast Na-ion conductors Na<sub>11</sub>Sn<sub>2</sub>MS<sub>12</sub> (M = P, Sb) is thermodynamically preferred and due to a quenchable PS<sub>4</sub> anion order–disorder transition its ion transport properties are controlled by the thermal history of the sample.
Topics & Concepts
IonAnalytical Chemistry (journal)Materials scienceFast ion conductorCrystallographyX-ray crystallographyChemistryPhysical chemistryPhysicsDiffractionElectrodeElectrolyteOpticsOrganic chemistryChromatographyAdvanced Battery Materials and TechnologiesSolid-state spectroscopy and crystallographyThermal Expansion and Ionic Conductivity