(335e) Operando Study of the LiV3O8 Cathode: Coupling Electrochemical and Edxrd Measurements with Mathematical Models

Building upon a previously validated crystal-scale model, a coupled electrode/crystal-scale mathematical model is used to compare phase-change behavior and electrochemical performance of lithium trivanadate (LiV₃O₈). The agreement between simulated and observed electrochemical performance is compelling. Observations about the phase-change dynamics of the material were gathered using time and space-resolved operando EDXRD measurements. These observations were compared with simulated concentration and phase profiles. Both simulation and experiment reveal that during lithiation, phase transformations preferentially occur near the separator, while during delithiation the disappearance of the lithium-rich β-phase occurs uniformly across the electrode.