| AVS 65th International Symposium & Exhibition | |
| 2D Materials Focus Topic | Wednesday Sessions |
| Session 2D+AM+EM+NS-WeM |
| Session: | Dopants, Defects, and Interfaces in 2D Materials |
| Presenter: | Duy Le, University of Central Florida |
| Authors: | D. Le, University of Central Florida P. Evans, University of Nebraska - Lincoln Z. Hooshmand, University of Central Florida T.B. Rawal, Oak Ridge National Laboratory L. Bartels, University of California, Riverside P.A. Dowben, University of Nebraska-Lincoln T.S. Rahman, University of Central Florida |
| Correspondent: | Click to Email |
Defects are known to play an important role in determining the chemical properties of otherwise inert MoS2 basal plane. Here we report our joint experimental and theoretical study of the adsorption and reaction of methanol on the MoS2 basal plane to determine the factors that control system reactivity. We find that exposure of the MoS2 basal plane to methanol leads to the formation of adsorbed methoxy and coincides with sulfur vacancy generation and that the methoxy moieties bind 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 H2S species that promptly desorbs from the surface with creation of a new sulfur vacancy, in great agreement with photoluminescence and scanning tunneling microscopy data that show clear evidence of the sulfur vacancy creation on the MoS2 surface, after exposure to methanol [1].
[1] P. Evans et al, J. Phys. Chem. C (2018). DOI: 10.1021/acs.jpcc.8b02053
* Work supported in part by DOE grant DE-FG02-07ER15842