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Project Summary: The activation and functionalization of C-H bonds enables new synthetic routes for functional molecules. Since C-H bonds are thermodynamically strong, metal catalysts such as Pd, Co, Au, etc. in combination with a zeolite or metalorganic framework are typically employed. Here we report light-driven C-H activation in complex organic molecules mediated by 2D transition metal dichalcogenides (TMDs). The process involves efficient hydrogen adsorption and a lowered energy barrier of C-C coupling mediated by TMDs. C-H activation is demonstrated in long chain organic molecules (CTAC) enabling optical synthesis and patterning of carbon dots on solid surfaces. By coupling experiments with density functional theory (DFT) calculations, we unravel the role of Se vacancies and oxidized states of WSe2 in promoting H adsorption and show that 2D TMDs can lower the energy barrier to facilitate C-C coupling. This type of light-driven reaction mediated by 2D materials can be generalized to other long-chain organic compounds for broader impacts on organic synthesis, chemical degradation and photonics.
Publication: J. Li, et al. Nature Comm. 15, 5546 (2024).
Instrument 10.60551/a0g5-8n60
2DCC Role:Wafer-scale WSe2 monolayers grown by MOCVD in the 2DCC-MIP facility were used in the study.