Combined DFT and geometrical–topological analysis of Li-ion conductivity in complex hydrides
Valerio Gulino, Anna Wołczyk, Andrey A. Golov, Roman A. Eremin, Mauro Palumbo, Carlo Nervi, Vladislav A. Blatov, Davide Μ. Proserpio, Marcello Baricco
Abstract
This work suggests that topological analysis can adequately explain the ion conductivity in complex hydrides.
Topics & Concepts
ConductivityIonTopology (electrical circuits)Work (physics)Materials scienceChemical physicsChemistryPhysicsPhysical chemistryThermodynamicsMathematicsOrganic chemistryCombinatoricsHydrogen Storage and MaterialsAdvanced NMR Techniques and ApplicationsChemical Synthesis and Characterization