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Methoxy Formation Induced Defects on MoS<sub>2</sub>
Evans, Prescott E.,Jeong, Hae Kyung,Hooshmand, Zahra,Le, Duy,Rawal, Takat B.,Naghibi Alvillar, Sahar,Bartels, Ludwig,Rahman, Talat S.,Dowben, Peter A. American Chemical Society 2018 The Journal of Physical Chemistry Part C Vol.122 No.18
<P>We find that exposure of the MoS<SUB>2</SUB> basal plane to methanol leads to the formation of adsorbed methoxy and coincides with sulfur vacancy generation. The conversion of methanol to methoxy on MoS<SUB>2</SUB> is temperature dependent. Density functional theory simulations and experiment indicate that the methoxy moieties are bound to molybdenum, not sulfur, while some adsorbed methanol is readily desorbed near or slightly above room temperature. Our calculations also suggest that the dissociation of methanol via O-H bond scission occurs at the defect site (sulfur vacancy), followed subsequently by formation of a weakly bound H<SUB>2</SUB>S species that promptly desorbs from the surface with creation of new sulfur vacancy. Photoluminescence and scanning tunneling microscopy show clear evidence of the sulfur vacancy creation on the MoS<SUB>2</SUB> surface, after exposure to methanol.</P> [FIG OMISSION]</BR>