The effect of doping MoSe<sub>2</sub> by clusters of noble metals on its adsorption for NH<sub>3</sub>
<p dir="ltr">The development of industrial activities is associated with negative impacts on the quality of the environment including emission of hazardous gases. Therefore, it is critical to produce sensitive and selective gas detectors in order to monitor and maintain its good qual...
محفوظ في:
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| منشور في: |
2022
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إضافة وسم
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| الملخص: | <p dir="ltr">The development of industrial activities is associated with negative impacts on the quality of the environment including emission of hazardous gases. Therefore, it is critical to produce sensitive and selective gas detectors in order to monitor and maintain its good quality. This work investigates the effect of noble metal doping of MoSe<sub>2</sub> on its adsorption of ammonia (NH<sub>3</sub>) gas. Pristine and noble metal doped MoSe<sub>2</sub> structures are examined computationally using density functional theory (DFT). Clusters of timers of each Pt, Au, and Ag along with their combination are utilized for doping. The influence of doping MoSe<sub>2</sub> structure on its adsorption energy and distance of NH<sub>3</sub> gas, density of states (DOS), charge transfer between NH<sub>3</sub> and the MoSe<sub>2</sub> structures, and band structure is explored. When compared to the pristine structure, the doped MoSe<sub>2</sub> structures reveal significant changes in electronic characteristics that are reflected on the DOS and band structures. New energy bands have evolved near to the Fermi level because of modifying the MoSe<sub>2</sub> structure. The adsorption capacity of the doped structures is greatly enhanced due to incorporation of noble metals. Herein, the magnitude of adsorption energy increases and the adsorption distance deceases for NH<sub>3</sub> gas. Consequently, the sensitivity is improved in comparison to the pristine structure. This study shows that noble metal doping of MoSe<sub>2</sub> by clusters of trimers can be a useful approach for developing sensitive NH<sub>3</sub> gas detectors.</p><h2>Other Information</h2><p dir="ltr">Published in: Physics Letters A<br>License: <a href="http://creativecommons.org/licenses/by/4.0/" target="_blank">http://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.1016/j.physleta.2022.128163" target="_blank">https://dx.doi.org/10.1016/j.physleta.2022.128163</a></p> |
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