Abstract
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.
Original language | English |
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Journal | Journal of Chemical Physics |
Volume | 136 |
Issue number | 4 |
Pages (from-to) | 044703 |
Number of pages | 6 |
ISSN | 0021-9606 |
DOIs | |
Publication status | Published - 2012 |
Externally published | Yes |