Insight into Na and Sn substitutions on structural, electronic and thermodynamic responses of Li2FeSiO4 for next generation Li+-ion based batteries: A first principles study
Muhammad Moin, Mehrunisa Babar, Shuai Wang, Zishan Ahsan, Abdul Waheed Anwar, Anwar Ali, Saleem Shahbaz, Yangzhou Ma, Guangsheng Song
Topics & Concepts
DopantDopingBand gapDensity functional theoryIonic bondingImpurityIonMaterials scienceElectronic structureCathodeLithium (medication)Electronic band structureDensity of statesChemical physicsChemistryCondensed matter physicsComputational chemistryOptoelectronicsPhysical chemistryPhysicsEndocrinologyOrganic chemistryMedicineAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesMagnetic Properties and Synthesis of Ferrites