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231226s2023 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.3c01664
|2 doi
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|a eng
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|a Li, Ziteng
|e verfasserin
|4 aut
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|a Adsorption of CH4, CO, and H2S on a MoTe2 Monolayer Doped with Metal Atoms (Au and Ru)
|b An Ab Initio Study
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|c 2023
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Revised 19.09.2023
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a Detecting toxic gases, such as CH4, CO, and H2S, in everyday life holds great significance. This research article focuses on investigating the adsorption characteristics of CH4, CO, and H2S on MoTe2 and MoTe2 doped with Au and Ru using the density functional theory. The study examines various aspects, including adsorption energy, charge transfer, density of states, and charge density difference of the adsorption configuration. The findings demonstrate that the adsorption properties of Ru-doped MoTe2 exhibit a significant enhancement for all three gases, with CO displaying the highest adsorption performance. Through comparative analysis, it is evident that the adsorption affinity between MoTe2-Ru and the three gases is robust, thus indicating improved gas detection capabilities
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|a Journal Article
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|a Dong, Xiaoyang
|e verfasserin
|4 aut
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|a Zeng, Wen
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1999
|g 39(2023), 37 vom: 19. Sept., Seite 13228-13241
|w (DE-627)NLM098181009
|x 1520-5827
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|g volume:39
|g year:2023
|g number:37
|g day:19
|g month:09
|g pages:13228-13241
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|u http://dx.doi.org/10.1021/acs.langmuir.3c01664
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|d 39
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