Fig. 1

The free energy changes of adsorbed atoms (i) and surface atoms (j) of Li and Mg with different coordination number[13]"

Fig. 2

(a) Schematic diagram of rectangular cell; (b) Schematic diagram of ion concentration and electrostatic potential in numerical simulation of uniform deposition hypothetical model[17]"

Fig. 3

MD Simulation for the LiNO3-S electrolyte. (a) The snapshot of the MD simulated box. Li+ ion and coordinated molecules (within 3.5 ? of Li+ ions) are depicted by a ball-and-stick model, while the wireframes stand for the free solvents; (b) Representative Li-solvation structure with NO3- involved[45]"

Fig. 4

(a) Schematic diagram of heterogeneous SEI structure[48]; (b) Cycle stability of Li||NCM811 battery at 0.25 C. The illustration shows the cycle stability of Li||NCM811 battery, and the capacity ratio of negative electrode to positive electrode is 1.5[47]; (c) Schematic illustration comparing effect of using L-0 and L-5 added electrolyte; (d) Comparison of electrochemical performances for Li||Li cell tests[49]"

Fig. 5

(a) Li||NMC811 battery cycle performance diagram[52]; (b) Li+ radial distribution functions and representative solvation structures (inset) from MD simulation [53]; (c) solvation structure diagram[55]; (d) solvation structure diagram of LiDFOB-FDMA-HTE[56]"

Fig. 6

(a) Schematic diagram of electrostatic shielding effect[57]; (b) Molecular structure of THU and electrochemical properties[58]"

Fig. 7

(a) schematic diagram of alloy protected lithium foil[61]; (b) spontaneous SEI with low adhesion energy (top), LiAl-based interface layer with high adhesion energy suppresses lithium dendrite (bottom) [62]; (c) Ag (Au)-Li anode (top), diagram of lithium deposition process on pure lithium anode (bottom)[66]"

Fig. 8

(a), (b) preferential reduction of LiPF6 and passivation of LiF formation on lithium metal[73]; (c), (d) solvated structure of LiFSI-DEE[76]"

Fig. 9

(a) SEM images of diluents (AandB), HCE(CandD) and LHCE(EandF)[79]; (b) Schematic diagram of SEI structure formed in LiFSI-LIPF6/DME/TTE electrolyte[80]; (c) BDE and conventional solvent physical properties; (d) The unique solvation structure of BDE/DME electrolyte[81]"