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

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    Type
    Article
    Authors
    Montes Muñoz, Enrique cc
    Schwingenschlögl, Udo cc
    KAUST Department
    Physical Sciences and Engineering (PSE) Division
    Date
    2017-05-23
    Permanent link to this record
    http://hdl.handle.net/10754/625026
    
    Metadata
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    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.
    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.
    Sponsors
    The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
    Publisher
    Royal Society of Chemistry (RSC)
    Journal
    J. Mater. Chem. C
    ISSN
    2050-7526
    2050-7534
    DOI
    10.1039/c6tc05094h
    Additional Links
    http://pubs.rsc.org/en/Content/ArticleLanding/2017/TC/C6TC05094H#!divAbstract
    ae974a485f413a2113503eed53cd6c53
    10.1039/c6tc05094h
    Scopus Count
    Collections
    Articles; Physical Sciences and Engineering (PSE) Division

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