Proceedings of nanoGe Spring Meeting 2022 (NSM22)
DOI: https://doi.org/10.29363/nanoge.nsm.2022.391
Publication date: 7th February 2022
While initial theories on quantum confinement in colloidal quantum dots (QDs) led to analytical band-gap/size relations or sizing functions, numerical methods proofed more accurate to describe size quantization. However, for lack of reliable sizing functions, researchers fit experimental band-gap/size datasets using models with redundant, physically meaningless parameters that break down upon extrapolation. Here, we propose a new sizing function based on a proportional correction for non-parabolic bands. Using known bulk semiconductor parameters, we accurately predict size quantization for group IV, III-V, II-VI, IV-VI and metal halide perovskite semiconductors, including straightforward adaptations for negative-gap semiconductors and non-spherical QDs. Refinement with respect to experimental data is possible using the Bohr diameter as a fitting parameter, by which we show a statistically relevant difference in band-gap/size relation for wurtzite and zinc blende CdSe. The general sizing function proposed here unifies QD size calibration, and enable researchers to assess bulk semiconductor parameters and predict size quantization in unexplored materials
ZH and AR acknowledge the bilateral FWO-Vlaanderen and Russian Science Foundation research cooperation (FWO grant No. G0F0920N) for funding. AR and AG acknowledge the Russian Science Foundation (Grant No. 20-42-01008). AG acknowledges support of the Grants Council of the President of the Russian Federation. The SAXS analyses were performed as part of a project that has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (Grant agreement No. 865995)
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