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Abstract
The covalent functionalization of exfoliated semiconducting MoS
2
by 1,2-dithiolanes bearing an ethylene glycol alkyl chain terminated to a butoxycarbonyl-protected amine and a photoactive pyrene moiety is accomplished. The MoS
2
-based nanohybrids were fully characterized by complementary spectroscopic, thermal, and microscopy techniques. Markedly, density functional theoretical studies combined with X-ray photoelectron spectroscopy analysis demonstrate preferential edge functionalization, primarily via sulfur addition along partially sulfur saturated zig-zag MoS
2
molybdenum-edges, preserving intact the 2D basal structure of functionalized MoS
2
-based nanohybrids as confirmed by high-resolution transmission electron microscopy and electron energy loss spectroscopy. Furthermore, in the MoS
2
-pyrene hybrid, appreciable electronic interactions at the excited state between the photoactive pyrene and the semiconducting MoS
2
were revealed as inferred by steady-state and time-resolved photoluminescence spectroscopy, implying its high potentiality to function in energy conversion schemes.