Superior selectivity and sensitivity of blue phosphorus nanotubes in gas sensing applications

Handle URI:
http://hdl.handle.net/10754/625026
Title:
Superior selectivity and sensitivity of blue phosphorus nanotubes in gas sensing applications
Authors:
Montes Muñoz, Enrique ( 0000-0002-7852-7350 ) ; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
On the basis of first principles calculations, we study the adsorption of CO, CO2, NH3, NO, and NO2 molecules on armchair and zigzag blue phosphorus nanotubes. The nanotubes are found to surpass the gas sensing performance of other one-dimensional materials, in particular Si nanowires and carbon nanotubes, and two-dimensional materials, in particular graphene, phosphorene, and MoS2. Investigation of the energetics of the gas adsorption and induced charge transfers indicates that blue phosphorus nanotubes are highly sensitive to N-based molecules, in particular NO2, due to covalent bonding. The current–voltage characteristics of nanotubes connected to Au electrodes are derived by the non-equilibrium Green's function formalism and used to quantitatively evaluate the change in resistivity upon gas adsorption. The observed selectivity and sensitivity properties make blue phosphorus nanotubes superior gas sensors for a wide range of applications.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
Montes E, Schwingenschlögl U (2017) Superior selectivity and sensitivity of blue phosphorus nanotubes in gas sensing applications. J Mater Chem C 5: 5365–5371. Available: http://dx.doi.org/10.1039/c6tc05094h.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
J. Mater. Chem. C
Issue Date:
23-May-2017
DOI:
10.1039/c6tc05094h
Type:
Article
ISSN:
2050-7526; 2050-7534
Sponsors:
The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
Additional Links:
http://pubs.rsc.org/en/Content/ArticleLanding/2017/TC/C6TC05094H#!divAbstract
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division

Full metadata record

DC FieldValue Language
dc.contributor.authorMontes Muñoz, Enriqueen
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2017-06-14T12:17:35Z-
dc.date.available2017-06-14T12:17:35Z-
dc.date.issued2017-05-23en
dc.identifier.citationMontes E, Schwingenschlögl U (2017) Superior selectivity and sensitivity of blue phosphorus nanotubes in gas sensing applications. J Mater Chem C 5: 5365–5371. Available: http://dx.doi.org/10.1039/c6tc05094h.en
dc.identifier.issn2050-7526en
dc.identifier.issn2050-7534en
dc.identifier.doi10.1039/c6tc05094hen
dc.identifier.urihttp://hdl.handle.net/10754/625026-
dc.description.abstractOn the basis of first principles calculations, we study the adsorption of CO, CO2, NH3, NO, and NO2 molecules on armchair and zigzag blue phosphorus nanotubes. The nanotubes are found to surpass the gas sensing performance of other one-dimensional materials, in particular Si nanowires and carbon nanotubes, and two-dimensional materials, in particular graphene, phosphorene, and MoS2. Investigation of the energetics of the gas adsorption and induced charge transfers indicates that blue phosphorus nanotubes are highly sensitive to N-based molecules, in particular NO2, due to covalent bonding. The current–voltage characteristics of nanotubes connected to Au electrodes are derived by the non-equilibrium Green's function formalism and used to quantitatively evaluate the change in resistivity upon gas adsorption. The observed selectivity and sensitivity properties make blue phosphorus nanotubes superior gas sensors for a wide range of applications.en
dc.description.sponsorshipThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).en
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://pubs.rsc.org/en/Content/ArticleLanding/2017/TC/C6TC05094H#!divAbstracten
dc.titleSuperior selectivity and sensitivity of blue phosphorus nanotubes in gas sensing applicationsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalJ. Mater. Chem. Cen
kaust.authorMontes Muñoz, Enriqueen
kaust.authorSchwingenschlögl, Udoen
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