Binding and Packing in Two-Component Colloidal Quantum Dot Ligand Shells: Linear Versus Branched Carboxylates

Kim De Nolf, Salvatore M. Cosseddu, Jacek J. Jasieniak, Emile Drijvers, Jose C. Martins, Ivan Infante, Zeger Hens

Research output: Contribution to JournalArticleAcademicpeer-review

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.
Original languageEnglish
Pages (from-to)3456-3464
Number of pages9
JournalJournal of the American Chemical Society
Volume139
Issue number9
DOIs
Publication statusPublished - 13 Feb 2017

Bibliographical note

doi: 10.1021/jacs.6b11328

Funding

Z.H. acknowledges support by the European Comission via the Marie-Sklodowska Curie action Phonsi (H2020-MSCA-ITN-642656), the Belgian Science Policy Office (IAP 7.35, photonics@be) and BOF-UGent (GOA no. 01G01513). I.I. would like to thank The Netherlands Organization of Scientific Research (NWO) for providing financial support within the Innovational Research Incentive (Vidi) Scheme. DFT calculations were carried out on the Dutch national e-infrastructure with the support of SURF Cooperative. J.J. would like to thank the Australian Research Council through CE170100026.

FundersFunder number
European Comission
Marie-Sklodowska Curie action PhonsiH2020-MSCA-ITN-642656
Netherlands Organization of Scientific Research
SURF Cooperative
Australian Research CouncilCE170100026
Belgian Federal Science Policy OfficeIAP 7.35, 01G01513
Nederlandse Organisatie voor Wetenschappelijk Onderzoek

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