A data-mining approach to understanding the impact of multi-doping on the ionic transport mechanism of solid electrolytes materials: the case of dual-doped Ga<sub>0.15</sub>/Sc<sub><i>y</i></sub> Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub>
Henry A. Cortés, Mauricio R. Bonilla, Herbert Früchtl, Tanja van Mourik, Javier Carrasco, Elena Akhmatskaya
Abstract
Uncovering Ga/Sc dual-doping effects on Li-ion dynamics in LLZO through molecular dynamics, Monte Carlo simulations, and data mining clustering techniques.
Topics & Concepts
DopingDual (grammatical number)Monte Carlo methodMaterials scienceCluster analysisIonic bondingMolecular dynamicsMechanism (biology)IonChemical physicsElectrolyteStatistical physicsNanotechnologyComputer scienceChemistryPhysical chemistryComputational chemistryPhysicsOptoelectronicsMachine learningElectrodeLiteratureArtStatisticsQuantum mechanicsMathematicsOrganic chemistryAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsThermal Expansion and Ionic Conductivity