Stabilization and growth of non-native nanocrystals at low and atmospheric pressures

摘要

The stabilization and growth of nanocrystals in "non-native" structures is explored via density functional calculations. Non-native and "native" bulk structures differ in their discrete translational symmetry. Computations suggest that the lower surface energy of the non-native structures always facilitates their stabilization in the early stages of crystal growth. In the compound semiconductors considered here, the transition pathways between non-native and native structures involve planar or near-planar depolarized layers and the growth conditions have significant effects on the stabilization and growth of non-native structures. The findings of this study help in identifying heuristics for the synthesis of non-native nanocrystals.