Chemical vapor deposition (CVD) processes using a transition metal carbonyl precursor such as Cr(CO)<sub>6 </sub>are a uniquely facile route to functionalizing graphene and a gateway to a host of applications ranging from electronics to sensors. This organometallic functionalization yields a measurable band gap with minimal disruption of the sp<sup>2</sup> framework and the conductivity of the graphene surface. Spectral confirmation of successful functionalization of graphene by chromium hexacarbonyl is provided by shifts in the infrared vibration associated with the carbonyl ligands while the extent of the functionalization reaction can be conveniently probed by Raman mapping of the surface. The Raman maps of the functionalized regions of the graphene surface exhibit a large increase in the defect (D) band of the graphene and spatially correlated shifts in the position of the graphite (G) band and the appearance of a D′ band indicating hole doping of graphene due to the chromium. The simulated Raman and IR spectra obtained from density functional theory (DFT) calculations provide independent confirmation of the spectral changes observed in the experimental spectra as well as illustrate the resulting structural changes to the “benzenoid” moiety.

CVD functionalization of graphene using transition metal carbonyls: Facile route to generate bandgaps

2019 Fall National Meeting

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