Full metadata record
DC FieldValueLanguage
dc.contributor.authorSingh, Amiten_US
dc.contributor.authorBae, Hyeonhuen_US
dc.contributor.authorLee, Seunghanen_US
dc.contributor.authorShabbiri, Khadijaen_US
dc.contributor.authorHussain, Tanveeren_US
dc.contributor.authorLee, Hoonkyungen_US
dc.date.accessioned2020-05-05T00:02:26Z-
dc.date.available2020-05-05T00:02:26Z-
dc.date.issued2020-05-15en_US
dc.identifier.issn0169-4332en_US
dc.identifier.urihttp://dx.doi.org/10.1016/j.apsusc.2020.145641en_US
dc.identifier.urihttp://hdl.handle.net/11536/154249-
dc.description.abstractGas sensing properties of pristine, defective and heteroatom substituted green phosphorene (GP) monolayers towards SF6 components such as H2S, SO2, SO2F2, SOF2 are investigated by using van der Waals corrected density function theory calculations. The adsorptions of H2S and SOF2 on pristine GP are found to be exothermic with weak binding energies (E-b) of- 0.065 and - 0.017 eV respectively, whereas the interactions of SO2 and SO2F2 are endothermic. We found that various vacancy defects and heteroatom substitutions enhance the E-b values of H2S, SO2, SO2F2 and SOF2 to - 0.84, - 1.04, - 0.40 and - 0.73 eV, respectively which are within desired range for efficient gas sensing applications. Presence of selected substituents (Al, B, C, S, Si) and vacancy defects result into measurable variations in electronic properties of GP upon the exposure of sulphur containing gases. We found that B- and S-doped GP systems show selectivity towards H2S and SO2, with E-b values of - 0.57eV for H2S and - 1.03eV for SO2. We believe that modified GP has potential to be used as excellent sensing material towards SF6 decomposition gases.en_US
dc.language.isoen_USen_US
dc.subjectAdsorptionen_US
dc.subjectSensingen_US
dc.subjectMonolayeren_US
dc.subjectDefectsen_US
dc.subjectDopingen_US
dc.titleHighly sensitive and selective sensing properties of modified green phosphorene monolayers towards SF6 decomposition gasesen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/j.apsusc.2020.145641en_US
dc.identifier.journalAPPLIED SURFACE SCIENCEen_US
dc.citation.volume512en_US
dc.citation.spage0en_US
dc.citation.epage0en_US
dc.contributor.department機械工程學系zh_TW
dc.contributor.departmentDepartment of Mechanical Engineeringen_US
dc.identifier.wosnumberWOS:000522731700043en_US
dc.citation.woscount0en_US
Appears in Collections:Articles