Abstract
Adopting twinning superlattice nanowires and III–V nanowires with sidewalls, whose cross-sections are irregular hexagons, the precise catalyst droplet surface area variation for the calculation of the nuclei formation enthalpy are obtained for possible nucleation positions at the nanowire growth front. Regular nanowires with hexagonal cross-section are also calculated. The nucleation site selection rules are drawn from the fact that the favorable site corresponds to a smaller nucleation barrier, which is not deducible from the spherical-cap shaped droplet approximation. The influence of droplet volume and nanowire geometry on the nucleation site selection should also be taken into consideration when calculations of the nanowire nucleation properties are involved.
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