First-principles study of Na insertion at TiO<sub>2</sub> anatase surfaces: new hints for Na-ion battery design
Arianna Massaro, Ana B. Muñoz‐García, P. Maddalena, Federico Bella, Giuseppina Meligrana, Claudio Gerbaldi, Michele Pavone
Abstract
insertion. We also provide a detailed analysis to elucidate that the energy barriers are due to structural modifications of the lattice upon sodiation. From these results we derive new design directions for the development of cheap and effective oxide-based nanostructured electrode materials for advanced NIBs.
Topics & Concepts
AnataseMaterials scienceAnodeElectrochemistryNanotechnologyBattery (electricity)ElectrodeDensity functional theoryIonOxideAdsorptionEnergy storageChemical engineeringChemistryPhotocatalysisCatalysisPower (physics)Physical chemistryPhysicsBiochemistryQuantum mechanicsComputational chemistryMetallurgyEngineeringOrganic chemistryAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesSupercapacitor Materials and Fabrication