The electrochemical and phase-change behavior of lithium trivanadate during lithiation and
delithiation is analyzed by comparing a coupled electrode/crystal-scale mathematical model
to operando experiments. The model expands on a previously published crystal-scale
model by adding descriptions for electrode-scale resistances. Agreement between
simulated and observed electrochemical measurements is compelling. Time and space-
resolved operando EDXRD measurements on the cathode are compared with simulated …

Lithium trivanadate, LiV3O8, and transition metal oxides in general are attractive cathode
materials for lithium-ion batteries due to their moderate redox potential, high theoretical
capacity, and good rate capability. 1, 2 LiV3O8, as with many other transition metal oxides,
undergoes phase change during lithiation. 1, 3, 4 Up to a composition of Li2. 5V3O8, the
material is in the parent layered α-phase; from Li2. 5V3O8 to Li4V3O8, the α-to β-phase
transition process takes place where the layered phase transforms into the defected rock …