Novel phosphorus-based 2D allotropes with ultra-high mobility

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dc.contributor.authorKaur, S
dc.contributor.authorKumar, A
dc.contributor.authorSrivastava, S
dc.contributor.authorTankeshwar, K
dc.contributor.authorPandey, R.
dc.date.accessioned2020-07-16T07:41:53Z
dc.date.accessioned2024-08-13T12:44:23Z
dc.date.available2020-07-16T07:41:53Z
dc.date.available2024-08-13T12:44:23Z
dc.date.issued2020
dc.description.abstractElectronic structure calculations based on density functional theory were performed to investigate structural, mechanical, and electronic properties of phosphorene-based large honeycomb dumbbell (LHD) hybrid structures and a new phosphorene allotrope, referred to as ??-P. The LHD hybrids (i.e., X6P4; X being C or Si or Ge or Sn) and ??-P have significantly higher bandgaps than the corresponding pristine LHD structures, except the case of C6P4, which is metallic. ??-P is found to be a highly flexible p-type material which shows strain-engineered photocatalytic activity in a highly alkaline medium. The carrier mobility of the considered systems is as high as 105 cm2 V-1 s-1 (specifically the electron mobility of LHD structures). The calculated STM images display the surface morphologies of the LHD hybrids and ??-P. The predicted phosphorus-based 2D structures with novel electronic properties may be candidate materials for nanoscale devices. - 2020 IOP Publishing Ltd.en_US
dc.identifier.doi10.1088/1361-6528/ab8cf1
dc.identifier.issn9574484
dc.identifier.urihttp://10.2.3.109/handle/32116/2637
dc.identifier.urlhttps://iopscience.iop.org/article/10.1088/1361-6528/ab8cf1/meta
dc.language.isoen_USen_US
dc.publisherInstitute of Physics Publishingen_US
dc.subjectcarrier mobilityen_US
dc.subjectdensity functional theoryen_US
dc.subjectphosphoreneen_US
dc.subjectsiliconeen_US
dc.subjectSTMen_US
dc.titleNovel phosphorus-based 2D allotropes with ultra-high mobilityen_US
dc.title.journalNanotechnologyen_US
dc.typeArticleen_US
dc.type.accesstypeClosed Accessen_US

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