AI Article Synopsis
- The study explores how two-component ligand shells interact with CdSe quantum dots, focusing on the effects of different carboxylic acids on the ligand exchange process.
- Nuclear magnetic resonance spectroscopy reveals that primary carboxylic acids can replace oleate ligands in a one-for-one fashion, maintaining the total ligand concentration, while straight-chain acids create an ideal binary mixture.
- The research also finds that branched-chain acids exhibit limited exchange (about 25%) due to steric factors, with molecular dynamics simulations indicating that oleates are better suited for packing on the quantum dot surfaces.
Article Abstract
In this work, we present a combined experimental and theoretical analysis of two-component ligand shells passivating CdSe quantum dots. Using nuclear magnetic resonance spectroscopy, we first show that exposing oleate-capped quantum dots to primary carboxylic acids results in a one-for-one exchange that preserves the overall ligand surface concentration. Exposure to straight-chain acids leads to a binary ligand shell that behaves as an ideal mixture and that has a composition matching the overall acid composition of the dispersion. In the case of branched-chain acids, the exchange is restricted to about 25% of the original ligands. Based on molecular dynamics simulations, we argue that this behavior reflects the more favorable packing of oleates compared to branched carboxylates on the (100) facets of CdSe quantum dots.
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| http://dx.doi.org/10.1021/jacs.6b11328 | DOI Listing |
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