Methoxy Formation Induced Defects on MoS2
| Autor: | Takat B. Rawal, Prescott E. Evans, Ludwig Bartels, Zahra Hooshmand, Peter A. Dowben, Hae Kyung Jeong, Sahar Naghibi Alvillar, Duy Le, Talat S. Rahman |
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| Rok vydání: | 2018 |
| Předmět: |
inorganic chemicals
chemistry.chemical_element 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Photochemistry 01 natural sciences Sulfur Dissociation (chemistry) 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials law.invention chemistry.chemical_compound General Energy chemistry Molybdenum law Vacancy defect Density functional theory Methanol Physical and Theoretical Chemistry Scanning tunneling microscope 0210 nano-technology Bond cleavage |
| Zdroj: | The Journal of Physical Chemistry C. 122:10042-10049 |
| ISSN: | 1932-7455 1932-7447 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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