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A first principle study on sensing properties of quasi-planer born (B36 borophene) towards COS, SO2, H2S and CS2 gases

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dc.contributor.authorKadhim M.M.en_US
dc.contributor.authorTaban T.Z.en_US
dc.contributor.authorShadhar M.H.en_US
dc.contributor.authorJasem H.en_US
dc.contributor.authorHachim S.K.en_US
dc.contributor.authorRheima A.M.en_US
dc.contributor.authorMasileno A.en_US
dc.contributor.authorid57223000961en_US
dc.contributor.authorid57795455100en_US
dc.contributor.authorid57736725300en_US
dc.contributor.authorid57224925917en_US
dc.contributor.authorid57467604300en_US
dc.contributor.authorid57699330300en_US
dc.contributor.authorid57795595700en_US
dc.date.accessioned2023-05-29T09:36:37Z
dc.date.available2023-05-29T09:36:37Z
dc.date.issued2022
dc.descriptionDensity functional theory; Density of gases; Dipole moment; Electric dipole moments; Conductivity; CS2 gas; Density-functional-theory; Electric-dipole moment; Electronic conductivity; Electronic sensors; First-principle study; Interaction; Sensing property; Short recovery time; Desorptionen_US
dc.description.abstractDensity functional theory was used to investigate the possible use of the B36 borophene in the detection of H2S, CS2, COS, and SO2 gases. In general, the order of interaction stability for the studied gases is as follows: SO2 > CS2 >H2S > COS. There seems to be a relation between the energy of absorption and the electric dipole moment of the molecules. The B36 borophene is indeed a ?-type sensor that only detects SO2 and also an electronic sensor that detects SO2 and CS2. As a ?-type sensor, it can be extrapolated that the B36 borophene is able to identify SO2 in the presence of H2S, COS, and CS2. Furthermore, it may work selectively between SO2 and CS2 as an electronic sensor by changing different electronic conductivity values in the presence of the as-mentioned gases. It is an electronic or function-type sensor for the detection of COS and SO2. The B36 borophene has a short recovery time of around 0.7 s and 0.1 s for the desorption of CS2 and SO2 from the surface at ambient temperature. It has been determined that this borophene is able to function in a moist environment. � 2022 Elsevier B.V.en_US
dc.description.natureFinalen_US
dc.identifier.ArtNo115364
dc.identifier.doi10.1016/j.physe.2022.115364
dc.identifier.scopus2-s2.0-85133918584
dc.identifier.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85133918584&doi=10.1016%2fj.physe.2022.115364&partnerID=40&md5=8104328c324acdeb719bb44e034863af
dc.identifier.urihttps://irepository.uniten.edu.my/handle/123456789/26772
dc.identifier.volume143
dc.publisherElsevier B.V.en_US
dc.sourceScopus
dc.sourcetitlePhysica E: Low-Dimensional Systems and Nanostructures
dc.titleA first principle study on sensing properties of quasi-planer born (B36 borophene) towards COS, SO2, H2S and CS2 gasesen_US
dc.typeArticleen_US
dspace.entity.typePublication
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