Fig. 1

(a) Open circuit voltage curve of NCM622 (b) Open circuit voltage curve of graphite negative electrode"

Fig. 2

(a) Tafel polarization curve of positive electrode with 50% SOC; (b) Reaction rate constants of electrode with different SOC"

Fig. 3

(a) GITT of NCM/Li Half Cells; (b) Solid phase diffusion coefficients of NCM/Li half cells with different SOC"

Fig. 4

(a) Li+ concentration gradient in electrolyte during constant current (0.1 C) discharge; (b) The state of charge distribution in the negative electrode and the discharge depth distribution in the positive electrode during constant current (0.1 C) discharge"

Fig. 5

The potential distribution of cathode at the end of constant current discharge with different thickness (a) 60 μm; (b) 120 μm"

Fig. 6

(a) 2D temperature distribution of flexible battery at the end of discharge at 5 ℃, simulation (left) and experiment (right); (b) 3D simulation of the temperature distribution inside the cylindrical battery at the end of charging (left) and discharging (right) at 5 ℃; (c) The effect of different needle speed on thermal runaway of batteries; (d) The effect of different needle diameters on thermal runaway of batteries; (e) Current density distribution of 18650 battery under single pole lug setting； (f) Current density distribution of 18650 battery in bipolar lug setting"

Fig. 7

(a) Schematic diagram of particle expansion (left) and contraction (right) during lithiation and delithiation processes; (b) The stress on the surface of particles of anodes at the end of discharge with different rates; (c) Lithium concentration distribution of carbon coated particles and hollow spherical particles during lithification; (d) Lithium ion concentration distribution in cathode particles with mesoscale model"

Fig. 8

(a) The loss of capacity caused by SEI formation (brown area) and lithium plating (blue area) during long-term cycling; (b) Nonlinear loss of capacity during long-term cycling; (c) The three-dimensional reconstruction model of NCM cathode with CEI film; (d) The variation of electric potential along the thickness direction with different thicknesses of CEI film and blockage degrees; (e) The variation of lithium ion concentration along the thickness direction with different thicknesses of CEI film and blockage degrees"

Fig. 9

(a) The effect of cathode dissolution on SEI growth; (b) Comparison of capacity decay model and experimental results"

Fig. 10

(a), (b) Particle fracture and interface debonding images of NMC electrodes after cycling; (c) Simulation of particle rupture at different discharge depths; (d) Simulation of different CBD phase morphologies in reconstructed models"

Fig. 11

(a) Micro Structure of electrodes developed with LAMMPS; (b) Raw 2D tomography image of electrode with X-ray tomography; (c) 3D microstructures of porous electrodes"

Fig. 12

(a) Discharge simulation of three-dimensional reconstruction models with different slurry ratios; (b) Simulation of the drying process of NCM cathode; (c), (d) Simulation of compaction process of NCM cathode"

Fig. 13

(a) Morphological control of three-dimensional reconstruction models; (b) Discharge simulation of three-dimensional reconstruction models with adjusted porosity; (c)-(d) Discharge simulation of reconstruction models with different thicknesses; (e) The effects of porosity and electrode thickness on capacity"