Polymer-quantum dots nanocomposites (PQDNCs) are a technologically important class of materials, with structural, biomedical, and optoelectronic applications. The properties of PQDNCs are sensitive to their microstructural features, which are difficult to control due to a complex interplay of entropic and enthalpic factors that determine dispersion of QD.

In this paper we examine the phase behavior of poly(9-vinylcarbazole) (PVK) – CdSe/ZnS QD thin films with 50 wt. % QD loading by ligand exchange.

PQDNCs (80-100 nm) are prepared by spin-coating method from the mixed toluene solution of QD and PVK. The morphology of PQDNCs has been investigated by using transmission electron microscopy and X-ray photoelectron spectroscopy. The photoluminescence spectra were recorded on SDL–2 spectrophotometer. For investigation of the influence of the surface of QD on PQDNCs phase behavior the QD initial aliphatic ligand shell (trioctylphosphine oxide, (TOPO)) were exchanged by aromatic molecules: pyridine (PY), «cyanodendrone» (CD), «alkyldendrone» (AD).

Analysis of the 2-dimensional radial distribution function (RDF) and the potential of mean force (PMF) of the obtained composites PVK/QD/PY, PVK/QD/CD and PVK/QD/AD have revealed the three different phase states of QD spatial organization as a function of the polymer-QD interaction. The observation of the TEM images of PVK/QD/PY clearly demonstrates increasing agglomeration and lateral phase segregation of QDs in the film with increasing the fraction of surface sites capped by PY. Nanocomposite PVK /QD/AD as well as PVK/QD/TOPO tends to vertical phase segregation whereas PVK/QD/CD dispersion tends to uniformly QD distribution. The dispersion of QDs and their surface have a significant impact on the luminescence properties of PQDNCs.

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