Semi-empirical dynamic volume model for predictions. We carry out the investigations to mixedligand NCs of various binary combinations, e.g., C22+C18, C22+C16, C22+C14, C22+C12, C22+C10, and C22+C6. The NCs mixed with C22+C10 ligands (the length difference ∆C = 12 ) show the highest dispersity among different combinations (see Figure ). The maximal dispersity at ∆C = 12 could be attributed to the Kuhn length (~1.4 nm) of a polyethylene chain . For each set of combination, the highest dispersity appears at 𝜙 ≈ 0.4 consistently. We perform DIPSHIFT experiments on the samples with 𝜙 = 0.4 (Figure ) and derive the ligand-ligand interaction energy by the dynamic volume analysis. The calculated interaction energy shows a consistent trend with the dispersity (the black line in Figure ): NCs with higher interaction energy exhibit lower dispersity. The last effort of this study is to expand the dynamic volume analysis beyond NMR measurements and achieve predictions on NC systems with arbitrary combinations of ligands. linear dependence between 𝑉 and ∆C. At the same time, the dynamic volume correlates to the relative ratio of long and short ligands. When the relative ratio of long ligands increases, the long ligands tend to pack with themselves. We in addition assume a linear dependence between 𝑉 and 𝜙 . The 𝑉 are assumed to have the same packing volume as those on the pure-ligand NCs.