Formation of multiply twinned nanoparticles of pure (Al, Cu, Ni) metals during crystallization: Results of molecular dynamics simulation

Oriented-Attachment- and Defect-Dependent PbTe Quantum Dots Growth: Shape Transformations Supported by Experimental Insights and DFT Calculations

“…After that, it is reasonable to infer that stable PbTe QD decahedra evolved from multi-twinned structures through the deviation of the pentagonal axis from the center toward the periphery of the QDs. Even though we do not rule out the possibility that the PbTe QD decahedra could form via repeated OAs, , we did not find direct evidence showing twin structure formation through such a mechanism.…”

“…The migration of crystal structure defects was achieved by rearranging misorientation and edge dislocations as well as short-range ordered lattices into a more stable structure. According to the literature, from a theoretical and experimental point of view, it has been reported that some face-centered cubic (fcc) materials, in the strained condition, gave way to 5-fold twinned crystal domains. , It is important to consider that twin growth can be favored via a reorganization of the structural defects generated during milling, which in turn is a way to avoid increasing the strain energy in the crystal , (see Figure ). For that reason, the PbTe QD decahedra smaller than 7 nm are stable, as has been reported in the literature …”