Using Ligands to Tune Precursor Reactivity and Surface Chemistry of Transition Metal Dichalcogenide Nanocrystals
Alina Schimpf a, Jessica Geisenhoff a, Hang Yin a, Natacha Oget a
a UC San Diego, United States
Poster, Alina Schimpf, 078
Publication date: 15th May 2025

Group-VI transition metal dichalcogenides (TMDs) have recently received increased interest due to their two-dimensional nature, intermediate bandgap and loss of inversion symmetry at the monolayer. Colloidal syntheses of these TMDs are particularly attractive because they (1) allow for modulation of the reactivity, enabling control over size, shape and phase and (2) offer routes for ligand attachment onto the surface, providing increased colloidal stability and enabling tuning of the physical and electronic structure. Previously, we showed that trioctylphosphine oxide (TOPO) facilitates CO labilization on substituted tungsten carbonyls, enhancing the precursor reactivity in the formation of WSe2. In contrast, softer, stronger ligands, such as phosphines and isocyanides, stabilize the tungsten precursor and require higher temperatures for nanocrystals to nucleate. Furthermore, inclusion of high equivalents of phosphines or isocyanides results in nanocrystals with the ligand bound to the surface Se, resulting in increased distances between the layers. This surface binding is unique because, unlike many nanocrystal materials, the surfaces of TMDs are charge-neutral, preventing X-type metal–ligand binding. The influence of ligands on precursor reactivity and conversion, as well as on the resulting nanocrystal structure and properties, will be discussed.

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