Methoxy Formation Induced Defects On Mos2

Abstract

We find that exposure of the MoS2 basal plane to methanol leads to the formation of adsorbed methoxy and coincides with sulfur vacancy generation. The conversion of methanol to methoxy on MoS2 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 H2S 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 MoS2 surface, after exposure to methanol.

Publication Date

5-10-2018

Publication Title

Journal of Physical Chemistry C

Volume

122

Issue

18

Number of Pages

10042-10049

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1021/acs.jpcc.8b02053

Socpus ID

85046934455 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/85046934455

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