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31 January 2023 Cluster formation and charge transfer in molecular doping of molybdenum disulfide
Jonghoon Lee, Gary S. Kedziora, Nicholas Glavin, Ajit K. Roy
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Proceedings Volume 12477, International Workshop on Thin Films for Electronics, Electro-Optics, Energy and Sensors 2022; 124770H (2023) https://doi.org/10.1117/12.2644983
Event: International Workshop on Thin Films for Electronics, Electro-Optics, Energy and Sensors, 2022, Boston, Massachusetts, United States
Abstract
Molybdenum disulfide (MoS2) gas sensor prototypes report orders of magnitude higher sensitivity towards nitrogen dioxide (NO2) over ammonia (NH3). Based on the cluster formation model and density functional theory calculation of charge transfer, NO2 is found to form a tightly bound cluster of counter charge upon carrier donation. On the other hand, NH3 forms only a semi-localized cluster of counter charge over wide area MoS2, which should promote recombination of donated carrier. We report the localization of counter charge cluster as an important factor affecting molecular doping efficiency.
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Jonghoon Lee, Gary S. Kedziora, Nicholas Glavin, and Ajit K. Roy "Cluster formation and charge transfer in molecular doping of molybdenum disulfide", Proc. SPIE 12477, International Workshop on Thin Films for Electronics, Electro-Optics, Energy and Sensors 2022, 124770H (31 January 2023); https://doi.org/10.1117/12.2644983
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KEYWORDS
Doping
Molybdenum
Nitrogen dioxide
Gas sensors
Numerical analysis
Scattering
Transition metals
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