EFFICIENT COMPUTATION OF QUANTUM DOT PROPERTIES: APPLICATION OF MODIFIED CHARGE EQUILIBRATION TO LARGE INCLUSIVE SETS OF WURTZITE CDSE NANOCRYSTAL STRUCTURES
Semiconducting quantum dots (QDs) exhibit tunable size dependent properties, leading some to designate these materials as “artificial atoms”. Synthetic methods of CdSe QDs have been highly refined and typically involve one-pot seeding and growth, resulting in the generation of colloidal crystallites ranging in diameter from ~1nm to ~6nm and with size distributions as low as 10%. Several reports describe the observation of “magic size” QDs during the early stages of growth, characterized by a stepwise increase in QD size—as opposed to the typically-observed continuous growth of QD sizes. While ...
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