Point-defect chemistry for ionic conduction in solid electrolytes with isovalent cation mixing
T. Ogawa, Kazuyuki Sato, Kazuhiro Mori, Shunsuke Kobayashi, Hiroki Moriwake, Yuichi Ikuhara, Akihide Kuwabara
Abstract
The atomic-scale mechanism of enhanced ionic conductivity in (Ba,Ca)F 2 with isovalent cation mixing is revealed via a first-principles investigation of defect formation and migration.
Topics & Concepts
Mixing (physics)Ionic bondingElectrolyteChemistryFast ion conductorIonic conductivityInorganic chemistryThermal conductionChemical physicsThermodynamicsIonPhysical chemistryOrganic chemistryElectrodePhysicsQuantum mechanicsIonic liquids properties and applicationsSolid-state spectroscopy and crystallographyAdvancements in Solid Oxide Fuel Cells