Fig. 5. Mechanistic analysis of the morphological propensity of Li nucleation and growth on MV defects.

a SEM images of the Li deposit morphology on p-CP after Li deposition at 1.0 mA cm⁻² for 3.6, 7.2, and 18 s, which correspond to 1, 2, and 5 μAh cm⁻², respectively. b TEM, STEM, and FFT images of Li nuclei on p-CP at 1.0 mA cm⁻² and 1 μAh cm⁻². c SEM images of the Li deposit morphology on d-CP after Li deposition at 1.0 mA cm⁻² for 3.6, 7.2, and 18 s, which correspond to 1, 2, and 5 μAh cm⁻², respectively. d TEM, STEM, and FFT images of Li nuclei on d-CP at 1.0 mA cm⁻² and 1 μAh cm⁻². e Relaxed structures and pDOS results of a single Li atom adsorbed on perfect BLG, Li-MV, and Li-MV with four preadsorbed Li atoms. f, g Relaxed configurations of Li atom clusters absorbed on perfect BLG and Li-MV (Li₃C₈). The lithiated Li and Li clusters, carbon in the upper layer, and carbon in the lower layer are shown in blue, purple, yellow, and gray colors, respectively. h Adsorption free energies of Li atoms on the outer and center of Li-MV, various facets ((111), (200), (310), (211), (110)) of Li metal, and perfect BLG.