Speaker
Description
Transition metal dichalcogenides have garnered attention because of their unique physical properties. Janus monolayers with different chalcogen layers may increase their versatility and range of applications. Paez et al. 10.1038/s41598-021-00287-6 demonstrated that charge-density asymmetry generates curvature in MoSeS nanotriangles and, consequently, an increase in their reactivity. Considering such effect, in this work, we engineered the MoS2 and MoSe2 nanotriangles to generate MoSO and MoSeO via selective oxidation of one side of the monolayer, ending up with thermodynamically stable Janus monolayers. After that, we designed MoSO and MoSeO nanotriangles and analyzed the curvature generated by the difference in electronegativity between S/Se and O. Also, we analyzed the reactivity increase due to the induced curvature and discussed their potential in the hydrodesulfurization reaction.
Reference
M. V. Bollinger, et al. Physical Review B, 67, 085410, 2003.
This work was supported by
We thank DGAPA-UNAM projects IA100624, and IG101124 for partial financial sup-
port. Calculations were performed in the DGCTIC-UNAM Supercomputing Center
projects LANCAD-UNAM-DGTIC 368 and 422, LNS and THUBAT KAAL IPICYT
| Keywords | Transition metal dichalcogenides, nanotriangles, curvature, charge density asymmetry |
|---|---|
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