Sulfur Vacancy Related Optical Transitions in Graded Alloys of MoxW1-xS2 Monolayers

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dc.citation.articleNumber2302326
dc.citation.issueNumber11
dc.citation.journalTitleAdvanced Optical Materials
dc.citation.volumeNumber12
dc.contributor.authorGhafariasl, Mahdi
dc.contributor.authorZhang, Tianyi
dc.contributor.authorWard, Zachary D.
dc.contributor.authorZhou, Da
dc.contributor.authorSanchez, David
dc.contributor.authorSwaminathan, Venkataraman
dc.contributor.authorTerrones, Humberto
dc.contributor.authorTerrones, Mauricio
dc.contributor.authorAbate, Yohannes
dc.date.accessioned2024-07-25T20:55:15Z
dc.date.available2024-07-25T20:55:15Z
dc.date.issued2024
dc.description.abstractEngineering electronic bandgaps is crucial for applications in information technology, sensing, and renewable energy. Transition metal dichalcogenides (TMDCs) offer a versatile platform for bandgap modulation through alloying, doping, and heterostructure formation. Here, the synthesis of a 2D MoxW1-xS2 graded alloy is reported, featuring a Mo-rich center that transitions to W-rich edges, achieving a tunable bandgap of 1.85 to 1.95 eV when moving from the center to the edge of the flake. Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy showed the presence of sulfur monovacancy, VS, whose concentration varied across the graded MoxW1-xS2 layer as a function of Mo content with the highest value in the Mo-rich center region. Optical spectroscopy measurements supported by ab initio calculations reveal a doublet electronic state of VS, which is split due to the spin-orbit interaction, with energy levels close to the conduction band or deep in the bandgap depending on whether the vacancy is surrounded by W atoms or Mo atoms. This unique electronic configuration of VS in the alloy gave rise to four spin-allowed optical transitions between the VS levels and the valence bands. The study demonstrates the potential of defect and optical engineering in 2D monolayers for advanced device applications.
dc.identifier.citationGhafariasl, M., Zhang, T., Ward, Z. D., Zhou, D., Sanchez, D., Swaminathan, V., Terrones, H., Terrones, M., & Abate, Y. (2024). Sulfur Vacancy Related Optical Transitions in Graded Alloys of MoxW1-xS2 Monolayers. Advanced Optical Materials, 12(11), 2302326. https://doi.org/10.1002/adom.202302326
dc.identifier.digitalSulfur-Vacancy
dc.identifier.doihttps://doi.org/10.1002/adom.202302326
dc.identifier.urihttps://hdl.handle.net/1911/117504
dc.language.isoeng
dc.publisherWiley
dc.rightsExcept where otherwise noted, this work is licensed under a Creative Commons Attribution (CC BY) license.  Permission to reuse, publish, or reproduce the work beyond the terms of the license or beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleSulfur Vacancy Related Optical Transitions in Graded Alloys of MoxW1-xS2 Monolayers
dc.typeJournal article
dc.type.dcmiText
dc.type.publicationpublisher version
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