4.8 Article

Expeditious Stochastic Calculation of Multiexciton Generation Rates in Semiconductor Nanocrystals

Journal

NANO LETTERS
Volume 12, Issue 4, Pages 2123-2128

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/nl300452c

Keywords

Multiexciton generation; linear scaling; Monte Carlo; spectroscopy of semiconducting nanocrystals

Funding

  1. Israel Science Foundation [611/11, 1020/10]
  2. U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001085]

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A stochastic method is developed to calculate the multiexciton generation (MEG) rates in semiconductor nanocrystals (NCs). The numerical effort scales near-linearly with system size allowing the study of MEG rates up to diameters and exciton energies previously unattainable using atomistic calculations. Illustrations are given for CdSe NCs of sizes and energies relevant to current experimental setups, where direct methods require treatment of over 10(11) states. The approach is not limited to the study of MEG and can be applied to calculate other correlated electronic processes.

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