Evolution of lithium ordering with (de)-lithiation in β-LiVOPO<sub>4</sub>: insights through solid-state NMR and first principles DFT calculations
Sylvia Britto, Ieuan D. Seymour, David M. Halat, Marc Francis V. Hidalgo, Carrie Siu, Philip J. Reeves, Hui Zhou, Natasha A. Chernova, M. Stanley Whittingham, Clare P. Grey
Abstract
Solid-state NMR combined with DFT calculations are used to characterise metastable phases formed during (electro)chemical lithiation of β-(Li)VOPO<sub>4</sub>.
Topics & Concepts
MetastabilityLithium (medication)Solid-state nuclear magnetic resonanceSolid-stateMaterials scienceDensity functional theoryComputational chemistryPhysical chemistryChemical physicsChemistryNuclear magnetic resonancePhysicsOrganic chemistryMedicineEndocrinologyAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesSolid-state spectroscopy and crystallography